CID 24253233

1375473-13-4

Structural Information

Molecular Formula
C10H12ClN3
SMILES
CN1C2=C(C=C(C=C2)Cl)N=C1CCN
InChI
InChI=1S/C10H12ClN3/c1-14-9-3-2-7(11)6-8(9)13-10(14)4-5-12/h2-3,6H,4-5,12H2,1H3
InChIKey
LYBSBRJIPSAKMQ-UHFFFAOYSA-N
Compound name
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

209.07198 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079256 144.0
[M+Na]+ 232.061198 156.2
[M-H]- 208.064704 146.2
[M+NH4]+ 227.105803 164.3
[M+K]+ 248.035138 150.7
[M+H-H2O]+ 192.069240 137.5
[M+HCOO]- 254.070181 163.4
[M+CH3COO]- 268.085831 157.7
[M+Na-2H]- 230.046646 149.9
[M]+ 209.07143142 147.6
[M]- 209.07252858 147.6
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