CID 3073290

147993-15-5

Structural Information

Molecular Formula
C16H31NO3
SMILES
CC1C2CC(CC1(CC(CNC(C)C)O)O)C(O2)(C)C
InChI
InChI=1S/C16H31NO3/c1-10(2)17-9-13(18)8-16(19)7-12-6-14(11(16)3)20-15(12,4)5/h10-14,17-19H,6-9H2,1-5H3
InChIKey
QXYQCIOEXXLWII-UHFFFAOYSA-N
Compound name
3-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.2304 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.23768 170.7
[M+Na]+ 308.21962 175.2
[M-H]- 284.22312 170.7
[M+NH4]+ 303.26422 191.3
[M+K]+ 324.19356 173.6
[M+H-H2O]+ 268.22766 167.7
[M+HCOO]- 330.22860 182.8
[M+CH3COO]- 344.24425 203.3
[M+Na-2H]- 306.20507 171.9
[M]+ 285.22985 170.0
[M]- 285.23095 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.