CID 20298856

68740-33-0

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

CCCN1C(=NC2=C1C=CC(=C2)C(=O)O)C

InChI

InChI=1S/C12H14N2O2/c1-3-6-14-8(2)13-10-7-9(12(15)16)4-5-11(10)14/h4-5,7H,3,6H2,1-2H3,(H,15,16)

InChIKey

LRHJEZOOBANSGC-UHFFFAOYSA-N

Compound name

2-methyl-1-propylbenzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 218.10553 Da
Monoisotopic Mass: 2.2
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]+	219.11281	147.9
[M+Na]+	241.09475	161.0
[M+NH4]+	236.13935	155.2
[M+K]+	257.06869	157.0
[M-H]-	217.09825	148.1
[M+Na-2H]-	239.08020	152.8
[M]+	218.10498	149.7
[M]-	218.10608	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe