CID 43148804

1-cyclopentyl-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C12H15N3
SMILES
C1CCC(C1)N2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C12H15N3/c13-12-14-10-7-3-4-8-11(10)15(12)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,13,14)
InChIKey
UTVDWVRXWFQCQJ-UHFFFAOYSA-N
Compound name
1-cyclopentylbenzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

201.1266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.133876 142.8
[M+Na]+ 224.115818 151.6
[M-H]- 200.119324 148.0
[M+NH4]+ 219.160423 163.5
[M+K]+ 240.089758 147.5
[M+H-H2O]+ 184.123860 135.0
[M+HCOO]- 246.124801 165.8
[M+CH3COO]- 260.140451 156.0
[M+Na-2H]- 222.101266 146.6
[M]+ 201.12605142 140.5
[M]- 201.12714858 140.5
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