CID 79983418

2172531-39-2

Structural Information

Molecular Formula
C12H14ClN3
SMILES
C1=CC(=CC=C1CN2C=C(N=C2)CCN)Cl
InChI
InChI=1S/C12H14ClN3/c13-11-3-1-10(2-4-11)7-16-8-12(5-6-14)15-9-16/h1-4,8-9H,5-7,14H2
InChIKey
XQWAHENIDKJIKW-UHFFFAOYSA-N
Compound name
2-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.08763 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09491 152.4
[M+Na]+ 258.07685 161.5
[M-H]- 234.08035 155.9
[M+NH4]+ 253.12145 169.7
[M+K]+ 274.05079 155.7
[M+H-H2O]+ 218.08489 144.1
[M+HCOO]- 280.08583 171.2
[M+CH3COO]- 294.10148 164.6
[M+Na-2H]- 256.06230 156.2
[M]+ 235.08708 153.5
[M]- 235.08818 153.5
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

No patent data available for this compound.