CID 393027

Nsc694271

Structural Information

Molecular Formula
C10H12ClN3
SMILES
C1=CC=C2C(=C1)N=C(N2CCCN)Cl
InChI
InChI=1S/C10H12ClN3/c11-10-13-8-4-1-2-5-9(8)14(10)7-3-6-12/h1-2,4-5H,3,6-7,12H2
InChIKey
HFUQIUKDAZKAFL-UHFFFAOYSA-N
Compound name
3-(2-chlorobenzimidazol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079256 143.6
[M+Na]+ 232.061198 154.8
[M-H]- 208.064704 145.4
[M+NH4]+ 227.105803 163.5
[M+K]+ 248.035138 149.3
[M+H-H2O]+ 192.069240 136.7
[M+HCOO]- 254.070181 163.0
[M+CH3COO]- 268.085831 157.0
[M+Na-2H]- 230.046646 150.2
[M]+ 209.07143142 146.8
[M]- 209.07252858 146.8
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

No patent data available for this compound.