CID 2756037

161468-45-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

CC(C)(C)OC(=O)N1C2=CC=CC=C2NC1=O

InChI

InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-9-7-5-4-6-8(9)13-10(14)15/h4-7H,1-3H3,(H,13,15)

InChIKey

GMUWCTKADZFKLT-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxo-3H-benzimidazole-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 234.10045 Da
Monoisotopic Mass: 1.9
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]+	235.10773	150.7
[M+Na]+	257.08967	162.6
[M+NH4]+	252.13427	156.8
[M+K]+	273.06361	160.1
[M-H]-	233.09317	149.5
[M+Na-2H]-	255.07512	155.1
[M]+	234.09990	151.8
[M]-	234.10100	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe