CID 21307252

[(3-chloro-4-methylphenyl)methyl](methyl)amine hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

169.06583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.9
[M+Na]+ 192.05505 143.2
[M-H]- 168.05855 137.9
[M+NH4]+ 187.09965 155.6
[M+K]+ 208.02899 139.2
[M+H-H2O]+ 152.06309 129.4
[M+HCOO]- 214.06403 154.9
[M+CH3COO]- 228.07968 182.3
[M+Na-2H]- 190.04050 140.5
[M]+ 169.06528 135.8
[M]- 169.06638 135.8
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