CID 28099

St 608

Structural Information

Molecular Formula
C10H12ClN3
SMILES
C1CN=C(N1)CC2=C(C(=CC=C2)N)Cl
InChI
InChI=1S/C10H12ClN3/c11-10-7(2-1-3-8(10)12)6-9-13-4-5-14-9/h1-3H,4-6,12H2,(H,13,14)
InChIKey
MKWHRLCQOXUINE-UHFFFAOYSA-N
Compound name
2-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.07198 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079256 145.2
[M+Na]+ 232.061198 153.8
[M-H]- 208.064704 147.4
[M+NH4]+ 227.105803 162.8
[M+K]+ 248.035138 147.8
[M+H-H2O]+ 192.069240 137.7
[M+HCOO]- 254.070181 161.8
[M+CH3COO]- 268.085831 157.1
[M+Na-2H]- 230.046646 148.7
[M]+ 209.07143142 142.4
[M]- 209.07252858 142.4
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.