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

44
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 134.6
[M+Na]+ 192.05505 142.0
[M-H]- 168.05855 139.2
[M+NH4]+ 187.09965 156.2
[M+K]+ 208.02899 139.4
[M+H-H2O]+ 152.06309 129.2
[M+HCOO]- 214.06403 156.1
[M+CH3COO]- 228.07968 183.6
[M+Na-2H]- 190.04050 141.8
[M]+ 169.06528 137.0
[M]- 169.06638 137.0
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