CID 820749

1158205-32-3

Structural Information

Molecular Formula

C₁₀H₁₃N₃

SMILES

CC(C)C1=NC2=C(N1)C=C(C=C2)N

InChI

InChI=1S/C10H13N3/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3,(H,12,13)

InChIKey

CSAYYKPWXOVGEU-UHFFFAOYSA-N

Compound name

2-propan-2-yl-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 175.11095 Da
Monoisotopic Mass: 2.4
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]+	176.11823	137.6
[M+Na]+	198.10017	147.4
[M-H]-	174.10367	138.6
[M+NH4]+	193.14477	157.4
[M+K]+	214.07411	143.3
[M+H-H2O]+	158.10821	130.9
[M+HCOO]-	220.10915	159.3
[M+CH3COO]-	234.12480	150.7
[M+Na-2H]-	196.08562	143.2
[M]+	175.11040	136.5
[M]-	175.11150	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe