CID 82595358

2460756-57-2

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CC1=C(N=C(N1C)C)C(=O)O

InChI

InChI=1S/C7H10N2O2/c1-4-6(7(10)11)8-5(2)9(4)3/h1-3H3,(H,10,11)

InChIKey

XBJSECKIAQRFJZ-UHFFFAOYSA-N

Compound name

1,2,5-trimethylimidazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.07423 Da
Monoisotopic Mass: 0.7
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]+	155.081506	130.0
[M+Na]+	177.063448	140.6
[M-H]-	153.066954	130.8
[M+NH4]+	172.108053	150.3
[M+K]+	193.037388	139.2
[M+H-H2O]+	137.071490	124.2
[M+HCOO]-	199.072431	151.5
[M+CH3COO]-	213.088081	175.6
[M+Na-2H]-	175.048896	133.1
[M]+	154.07368142	131.8
[M]-	154.07477858	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe