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]+ 210.07926 143.6
[M+Na]+ 232.06120 154.8
[M-H]- 208.06470 145.4
[M+NH4]+ 227.10580 163.5
[M+K]+ 248.03514 149.3
[M+H-H2O]+ 192.06924 136.7
[M+HCOO]- 254.07018 163.0
[M+CH3COO]- 268.08583 157.0
[M+Na-2H]- 230.04665 150.2
[M]+ 209.07143 146.8
[M]- 209.07253 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.