CID 10583272

52516-20-8

Structural Information

Molecular Formula
C9H12ClN
SMILES
CNCCC1=CC(=CC=C1)Cl
InChI
InChI=1S/C9H12ClN/c1-11-6-5-8-3-2-4-9(10)7-8/h2-4,7,11H,5-6H2,1H3
InChIKey
ZAIUACXHBBABJZ-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

123
Patents

169.06583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.7
[M+Na]+ 192.05505 147.6
[M+NH4]+ 187.09965 143.7
[M+K]+ 208.02899 139.3
[M-H]- 168.05855 137.5
[M+Na-2H]- 190.04050 142.1
[M]+ 169.06528 137.1
[M]- 169.06638 137.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe