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
(3aR,6aS)-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]+ 155.08151 132.4
[M+Na]+ 177.06345 141.6
[M-H]- 153.06695 133.2
[M+NH4]+ 172.10805 155.0
[M+K]+ 193.03739 139.4
[M+H-H2O]+ 137.07149 127.0
[M+HCOO]- 199.07243 151.3
[M+CH3COO]- 213.08808 172.9
[M+Na-2H]- 175.04890 134.1
[M]+ 154.07368 129.4
[M]- 154.07478 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.