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

15
Patents

201.1266 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.13388 142.8
[M+Na]+ 224.11582 151.6
[M-H]- 200.11932 148.0
[M+NH4]+ 219.16042 163.5
[M+K]+ 240.08976 147.5
[M+H-H2O]+ 184.12386 135.0
[M+HCOO]- 246.12480 165.8
[M+CH3COO]- 260.14045 156.0
[M+Na-2H]- 222.10127 146.6
[M]+ 201.12605 140.5
[M]- 201.12715 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