CID 5275348

3-(cyclopropylamino)-3-[(6r)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol

Structural Information

Molecular Formula
C14H25NO5
SMILES
CC1(OC2[C@@H](C(OC2O1)C(CCO)NC3CC3)OC)C
InChI
InChI=1S/C14H25NO5/c1-14(2)19-12-11(17-3)10(18-13(12)20-14)9(6-7-16)15-8-4-5-8/h8-13,15-16H,4-7H2,1-3H3/t9?,10?,11-,12?,13?/m1/s1
InChIKey
OWWBOTDJCISYRS-ZLXUSHJUSA-N
Compound name
3-(cyclopropylamino)-3-[(6R)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.17328 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.18056 161.3
[M+Na]+ 310.16250 168.5
[M-H]- 286.16600 169.7
[M+NH4]+ 305.20710 173.9
[M+K]+ 326.13644 169.2
[M+H-H2O]+ 270.17054 158.1
[M+HCOO]- 332.17148 176.5
[M+CH3COO]- 346.18713 203.6
[M+Na-2H]- 308.14795 164.4
[M]+ 287.17273 168.0
[M]- 287.17383 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.