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

34
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 142.6
[M+Na]+ 230.04554 151.3
[M-H]- 206.04904 145.3
[M+NH4]+ 225.09014 160.3
[M+K]+ 246.01948 145.4
[M+H-H2O]+ 190.05358 134.8
[M+HCOO]- 252.05452 161.3
[M+CH3COO]- 266.07017 155.0
[M+Na-2H]- 228.03099 149.0
[M]+ 207.05577 141.8
[M]- 207.05687 141.8
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

patents stripe