CID 15476

N-(2-chloroethyl)-n-methylaniline

Structural Information

Molecular Formula
C9H12ClN
SMILES
CN(CCCl)C1=CC=CC=C1
InChI
InChI=1S/C9H12ClN/c1-11(8-7-10)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey
KYTLVUBCXILIQO-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 134.1
[M+Na]+ 192.05505 147.9
[M+NH4]+ 187.09965 144.3
[M+K]+ 208.02899 139.8
[M-H]- 168.05855 138.1
[M+Na-2H]- 190.04050 143.0
[M]+ 169.06528 137.6
[M]- 169.06638 137.6
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