CID 67231854

2503202-30-8

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1C2CNC(C2CN1)C(=O)O
InChI
InChI=1S/C7H12N2O2/c10-7(11)6-5-3-8-1-4(5)2-9-6/h4-6,8-9H,1-3H2,(H,10,11)
InChIKey
WFPPVPZFBXSODQ-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

156.08987 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 135.7
[M+Na]+ 179.079088 141.5
[M-H]- 155.082594 133.1
[M+NH4]+ 174.123693 156.1
[M+K]+ 195.053028 138.8
[M+H-H2O]+ 139.087130 130.0
[M+HCOO]- 201.088071 150.3
[M+CH3COO]- 215.103721 167.3
[M+Na-2H]- 177.064536 136.5
[M]+ 156.08932142 128.2
[M]- 156.09041858 128.2
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