CID 11321001

152139-64-5

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(O[C@@H]2CNC[C@@H]2O1)C
InChI
InChI=1S/C7H13NO2/c1-7(2)9-5-3-8-4-6(5)10-7/h5-6,8H,3-4H2,1-2H3/t5-,6+
InChIKey
XZYBWCDJMBCCJX-OLQVQODUSA-N
Compound name
(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

143.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 128.4
[M+Na]+ 166.08386 136.3
[M-H]- 142.08736 131.3
[M+NH4]+ 161.12846 151.8
[M+K]+ 182.05780 137.1
[M+H-H2O]+ 126.09190 124.7
[M+HCOO]- 188.09284 146.3
[M+CH3COO]- 202.10849 142.3
[M+Na-2H]- 164.06931 134.4
[M]+ 143.09409 127.0
[M]- 143.09519 127.0
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.