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: 5
Patents: 156.08987 Da
Monoisotopic Mass: -3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	157.09715	134.4
[M+Na]+	179.07909	140.8
[M+NH4]+	174.12369	141.1
[M+K]+	195.05303	141.3
[M-H]-	155.08259	131.9
[M+Na-2H]-	177.06454	134.3
[M]+	156.08932	133.9
[M]-	156.09042	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe