CID 22111485

70346-52-0

Structural Information

Molecular Formula

C₇H₈N₂O₂

SMILES

CN1C=NC=C1/C=C/C(=O)O

InChI

InChI=1S/C7H8N2O2/c1-9-5-8-4-6(9)2-3-7(10)11/h2-5H,1H3,(H,10,11)/b3-2+

InChIKey

NMRLUTUNCWBWCC-NSCUHMNNSA-N

Compound name

(E)-3-(3-methylimidazol-4-yl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 152.05858 Da
Monoisotopic Mass: 0.0
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]+	153.06586	131.9
[M+Na]+	175.04780	142.4
[M+NH4]+	170.09240	138.3
[M+K]+	191.02174	139.7
[M-H]-	151.05130	130.5
[M+Na-2H]-	173.03325	135.9
[M]+	152.05803	132.6
[M]-	152.05913	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe