CID 594942

1158326-68-1

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CCC(CC1)C2=NC3=C(N2)C=C(C=C3)N
InChI
InChI=1S/C13H17N3/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h6-9H,1-5,14H2,(H,15,16)
InChIKey
BGKLDGPQFIVCGV-UHFFFAOYSA-N
Compound name
2-cyclohexyl-3H-benzimidazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

215.14224 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 147.5
[M+Na]+ 238.13146 154.6
[M-H]- 214.13496 150.5
[M+NH4]+ 233.17606 165.0
[M+K]+ 254.10540 149.0
[M+H-H2O]+ 198.13950 139.3
[M+HCOO]- 260.14044 166.3
[M+CH3COO]- 274.15609 158.8
[M+Na-2H]- 236.11691 152.1
[M]+ 215.14169 141.4
[M]- 215.14279 141.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe