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]+ 210.07926 145.2
[M+Na]+ 232.06120 153.8
[M-H]- 208.06470 147.4
[M+NH4]+ 227.10580 162.8
[M+K]+ 248.03514 147.8
[M+H-H2O]+ 192.06924 137.7
[M+HCOO]- 254.07018 161.8
[M+CH3COO]- 268.08583 157.1
[M+Na-2H]- 230.04665 148.7
[M]+ 209.07143 142.4
[M]- 209.07253 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.