CID 11448004

189560-83-6

Structural Information

Molecular Formula

C₁₃H₁₇N₃O₂

SMILES

CC(C)(C)OC(=O)NCC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H17N3O2/c1-13(2,3)18-12(17)14-8-11-15-9-6-4-5-7-10(9)16-11/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)

InChIKey

WRAOGDJKTDDORV-UHFFFAOYSA-N

Compound name

tert-butyl N-(1H-benzimidazol-2-ylmethyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 247.13208 Da
Monoisotopic Mass: 2.0
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]+	248.13936	156.1
[M+Na]+	270.12130	166.6
[M+NH4]+	265.16590	162.5
[M+K]+	286.09524	163.7
[M-H]-	246.12480	155.8
[M+Na-2H]-	268.10675	160.9
[M]+	247.13153	157.3
[M]-	247.13263	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe