CID 11030183

131020-57-0

Structural Information

Molecular Formula

C₈H₁₀N₂O₂

SMILES

C1CC2=C(CC1C(=O)O)NC=N2

InChI

InChI=1S/C8H10N2O2/c11-8(12)5-1-2-6-7(3-5)10-4-9-6/h4-5H,1-3H2,(H,9,10)(H,11,12)

InChIKey

LQXRWFGXMQZLIV-UHFFFAOYSA-N

Compound name

4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 166.07423 Da
Monoisotopic Mass: 0.3
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]+	167.08151	134.7
[M+Na]+	189.06345	144.5
[M+NH4]+	184.10805	142.0
[M+K]+	205.03739	141.9
[M-H]-	165.06695	133.8
[M+Na-2H]-	187.04890	137.7
[M]+	166.07368	135.4
[M]-	166.07478	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe