CID 10583272

[2-(3-chlorophenyl)ethyl](methyl)amine

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

134
Patents

169.06583 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.3
[M+Na]+ 192.055048 142.6
[M-H]- 168.058554 137.8
[M+NH4]+ 187.099653 155.6
[M+K]+ 208.028988 138.6
[M+H-H2O]+ 152.063090 129.4
[M+HCOO]- 214.064031 155.3
[M+CH3COO]- 228.079681 181.2
[M+Na-2H]- 190.040496 141.6
[M]+ 169.06528142 135.8
[M]- 169.06637858 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

literature stripe

Patent stripe

patents stripe