CID 3744795

1-(3-methylbutyl)-1h-benzimidazol-2-amine

Structural Information

Molecular Formula
C12H17N3
SMILES
CC(C)CCN1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C12H17N3/c1-9(2)7-8-15-11-6-4-3-5-10(11)14-12(15)13/h3-6,9H,7-8H2,1-2H3,(H2,13,14)
InChIKey
MQRMNTLFZVWVHA-UHFFFAOYSA-N
Compound name
1-(3-methylbutyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 146.5
[M+Na]+ 226.13146 155.8
[M-H]- 202.13496 148.5
[M+NH4]+ 221.17606 165.8
[M+K]+ 242.10540 152.1
[M+H-H2O]+ 186.13950 139.0
[M+HCOO]- 248.14044 169.0
[M+CH3COO]- 262.15609 190.1
[M+Na-2H]- 224.11691 151.4
[M]+ 203.14169 148.0
[M]- 203.14279 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.