CID 51072224

1993105-81-9

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CN1C(=O)[C@@H]2CNC[C@@H]2C1=O
InChI
InChI=1S/C7H10N2O2/c1-9-6(10)4-2-8-3-5(4)7(9)11/h4-5,8H,2-3H2,1H3/t4-,5+
InChIKey
QORSINSMFQKJDX-SYDPRGILSA-N
Compound name
(3aS,6aR)-5-methyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.07423 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.081506 132.4
[M+Na]+ 177.063448 141.6
[M-H]- 153.066954 133.2
[M+NH4]+ 172.108053 155.0
[M+K]+ 193.037388 139.4
[M+H-H2O]+ 137.071490 127.0
[M+HCOO]- 199.072431 151.3
[M+CH3COO]- 213.088081 172.9
[M+Na-2H]- 175.048896 134.1
[M]+ 154.07368142 129.4
[M]- 154.07477858 129.4
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.