CID 83529058

2031259-32-0

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CC1(CCN(C1=O)C)C(=O)O

InChI

InChI=1S/C7H11NO3/c1-7(6(10)11)3-4-8(2)5(7)9/h3-4H2,1-2H3,(H,10,11)

InChIKey

WRWMSKHCARNZRC-UHFFFAOYSA-N

Compound name

1,3-dimethyl-2-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 157.0739 Da
Monoisotopic Mass: 0.5
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]+	158.08118	129.9
[M+Na]+	180.06312	138.6
[M-H]-	156.06662	131.3
[M+NH4]+	175.10772	152.8
[M+K]+	196.03706	137.8
[M+H-H2O]+	140.07116	125.8
[M+HCOO]-	202.07210	150.2
[M+CH3COO]-	216.08775	173.1
[M+Na-2H]-	178.04857	133.3
[M]+	157.07335	128.9
[M]-	157.07445	128.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe