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

4
Patents

126.079315 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.086591 127.3
[M+Na]+ 149.068533 134.5
[M-H]- 125.072039 126.1
[M+NH4]+ 144.113138 149.8
[M+K]+ 165.042473 131.8
[M+H-H2O]+ 109.076575 121.5
[M+HCOO]- 171.077516 144.6
[M+CH3COO]- 185.093166 139.6
[M+Na-2H]- 147.053981 130.2
[M]+ 126.07876642 120.5
[M]- 126.07986358 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

patents stripe