CID 162387

39650-63-0

Structural Information

Molecular Formula
C12H17N3
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCCCN
InChI
InChI=1S/C12H17N3/c13-9-5-1-2-8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7H,1-2,5,8-9,13H2,(H,14,15)
InChIKey
XTJRXHPNZGDOGE-UHFFFAOYSA-N
Compound name
5-(1H-benzimidazol-2-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

72
Patents

203.14224 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.149516 145.3
[M+Na]+ 226.131458 153.6
[M-H]- 202.134964 145.4
[M+NH4]+ 221.176063 163.7
[M+K]+ 242.105398 148.6
[M+H-H2O]+ 186.139500 137.8
[M+HCOO]- 248.140441 167.4
[M+CH3COO]- 262.156091 185.6
[M+Na-2H]- 224.116906 151.9
[M]+ 203.14169142 145.2
[M]- 203.14278858 145.2
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