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

55
Patents

143.09464 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 128.4
[M+Na]+ 166.083858 136.3
[M-H]- 142.087364 131.3
[M+NH4]+ 161.128463 151.8
[M+K]+ 182.057798 137.1
[M+H-H2O]+ 126.091900 124.7
[M+HCOO]- 188.092841 146.3
[M+CH3COO]- 202.108491 142.3
[M+Na-2H]- 164.069306 134.4
[M]+ 143.09409142 127.0
[M]- 143.09518858 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

literature stripe

Patent stripe

patents stripe