CID 61557665

3-chloro-n-(1h-imidazol-2-ylmethyl)aniline

Structural Information

Molecular Formula
C10H10ClN3
SMILES
C1=CC(=CC(=C1)Cl)NCC2=NC=CN2
InChI
InChI=1S/C10H10ClN3/c11-8-2-1-3-9(6-8)14-7-10-12-4-5-13-10/h1-6,14H,7H2,(H,12,13)
InChIKey
KWRNCEDVXKEPDS-UHFFFAOYSA-N
Compound name
3-chloro-N-(1H-imidazol-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

207.05632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06360 143.0
[M+Na]+ 230.04554 156.6
[M+NH4]+ 225.09014 151.7
[M+K]+ 246.01948 150.7
[M-H]- 206.04904 146.3
[M+Na-2H]- 228.03099 151.9
[M]+ 207.05577 146.1
[M]- 207.05687 146.1
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