CID 15034538

35681-38-0

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

CC(C)(C)N1C2=CC=CC=C2N=C1N

InChI

InChI=1S/C11H15N3/c1-11(2,3)14-9-7-5-4-6-8(9)13-10(14)12/h4-7H,1-3H3,(H2,12,13)

InChIKey

HDEFXNYIQDDCSW-UHFFFAOYSA-N

Compound name

1-tert-butylbenzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 189.1266 Da
Monoisotopic Mass: 1.8
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]+	190.13388	141.2
[M+Na]+	212.11582	154.0
[M+NH4]+	207.16042	149.6
[M+K]+	228.08976	149.9
[M-H]-	188.11932	142.8
[M+Na-2H]-	210.10127	147.8
[M]+	189.12605	143.5
[M]-	189.12715	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe