CID 65440459

[(5-chloro-2-methylphenyl)methyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC1=C(C=C(C=C1)Cl)CNC
InChI
InChI=1S/C9H12ClN/c1-7-3-4-9(10)5-8(7)6-11-2/h3-5,11H,6H2,1-2H3
InChIKey
OBSUTIHBJMOOTE-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methylphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

169.06583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.3
[M+Na]+ 192.05505 147.7
[M+NH4]+ 187.09965 143.4
[M+K]+ 208.02899 139.5
[M-H]- 168.05855 137.2
[M+Na-2H]- 190.04050 141.6
[M]+ 169.06528 136.9
[M]- 169.06638 136.9
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