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]+ 216.14952 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

No literature data available for this compound.

Patent stripe

patents stripe