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]+ 210.07926 144.0
[M+Na]+ 232.06120 156.2
[M-H]- 208.06470 146.2
[M+NH4]+ 227.10580 164.3
[M+K]+ 248.03514 150.7
[M+H-H2O]+ 192.06924 137.5
[M+HCOO]- 254.07018 163.4
[M+CH3COO]- 268.08583 157.7
[M+Na-2H]- 230.04665 149.9
[M]+ 209.07143 147.6
[M]- 209.07253 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