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

36
Patents

207.05632 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 142.6
[M+Na]+ 230.045538 151.3
[M-H]- 206.049044 145.3
[M+NH4]+ 225.090143 160.3
[M+K]+ 246.019478 145.4
[M+H-H2O]+ 190.053580 134.8
[M+HCOO]- 252.054521 161.3
[M+CH3COO]- 266.070171 155.0
[M+Na-2H]- 228.030986 149.0
[M]+ 207.05577142 141.8
[M]- 207.05686858 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