CID 55300293

2368824-59-1

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1[C@@H]2CNC[C@@H]2NC1=O
InChI
InChI=1S/C6H10N2O/c9-6-1-4-2-7-3-5(4)8-6/h4-5,7H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChIKey
LELWCGYOYKRSOE-UHNVWZDZSA-N
Compound name
(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.079315 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 127.3
[M+Na]+ 149.06853 134.5
[M-H]- 125.07204 126.1
[M+NH4]+ 144.11314 149.8
[M+K]+ 165.04247 131.8
[M+H-H2O]+ 109.07658 121.5
[M+HCOO]- 171.07752 144.6
[M+CH3COO]- 185.09317 139.6
[M+Na-2H]- 147.05398 130.2
[M]+ 126.07877 120.5
[M]- 126.07986 120.5
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.