CID 63044020

3-(1h-1,3-benzodiazol-2-yl)cyclohexan-1-amine

Structural Information

Molecular Formula
C13H17N3
SMILES
C1CC(CC(C1)N)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H17N3/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-2,6-7,9-10H,3-5,8,14H2,(H,15,16)
InChIKey
GJWFOQIKVTZEPM-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

215.14224 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 147.5
[M+Na]+ 238.131458 154.6
[M-H]- 214.134964 150.5
[M+NH4]+ 233.176063 165.0
[M+K]+ 254.105398 149.0
[M+H-H2O]+ 198.139500 139.3
[M+HCOO]- 260.140441 166.3
[M+CH3COO]- 274.156091 158.8
[M+Na-2H]- 236.116906 152.1
[M]+ 215.14169142 141.4
[M]- 215.14278858 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

No literature data available for this compound.

Patent stripe

patents stripe