CID 5275361

3-cyclopropylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b

Structural Information

Molecular Formula
C17H29NO6
SMILES
CC1(OC2[C@H](OC3C(C2O1)OC(O3)(C)C)C(CCO)NC4CC4)C
InChI
InChI=1S/C17H29NO6/c1-16(2)21-12-11(10(7-8-19)18-9-5-6-9)20-15-14(13(12)22-16)23-17(3,4)24-15/h9-15,18-19H,5-8H2,1-4H3/t10?,11-,12?,13?,14?,15?/m1/s1
InChIKey
ZXTQDDYIFGNLKY-AOAHJRJYSA-N
Compound name
3-(cyclopropylamino)-3-[(8R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1995 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.20678 174.2
[M+Na]+ 366.18872 181.4
[M-H]- 342.19222 184.0
[M+NH4]+ 361.23332 184.8
[M+K]+ 382.16266 184.5
[M+H-H2O]+ 326.19676 172.6
[M+HCOO]- 388.19770 182.5
[M+CH3COO]- 402.21335 215.2
[M+Na-2H]- 364.17417 178.2
[M]+ 343.19895 181.7
[M]- 343.20005 181.7
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.