CID 16640619

1803582-46-8

Structural Information

Molecular Formula
C9H10ClN3
SMILES
CN1C2=C(C=C(C=C2)Cl)N=C1CN
InChI
InChI=1S/C9H10ClN3/c1-13-8-3-2-6(10)4-7(8)12-9(13)5-11/h2-4H,5,11H2,1H3
InChIKey
SPLIVFYNGMDOBZ-UHFFFAOYSA-N
Compound name
(5-chloro-1-methylbenzimidazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

195.05632 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.063596 139.4
[M+Na]+ 218.045538 152.0
[M-H]- 194.049044 141.7
[M+NH4]+ 213.090143 160.2
[M+K]+ 234.019478 146.7
[M+H-H2O]+ 178.053580 133.0
[M+HCOO]- 240.054521 159.1
[M+CH3COO]- 254.070171 153.5
[M+Na-2H]- 216.030986 145.7
[M]+ 195.05577142 142.6
[M]- 195.05686858 142.6
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