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]+ 157.09715 135.7
[M+Na]+ 179.07909 141.5
[M-H]- 155.08259 133.1
[M+NH4]+ 174.12369 156.1
[M+K]+ 195.05303 138.8
[M+H-H2O]+ 139.08713 130.0
[M+HCOO]- 201.08807 150.3
[M+CH3COO]- 215.10372 167.3
[M+Na-2H]- 177.06454 136.5
[M]+ 156.08932 128.2
[M]- 156.09042 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