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

67
Patents

169.06583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.073106 134.6
[M+Na]+ 192.055048 142.0
[M-H]- 168.058554 139.2
[M+NH4]+ 187.099653 156.2
[M+K]+ 208.028988 139.4
[M+H-H2O]+ 152.063090 129.2
[M+HCOO]- 214.064031 156.1
[M+CH3COO]- 228.079681 183.6
[M+Na-2H]- 190.040496 141.8
[M]+ 169.06528142 137.0
[M]- 169.06637858 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