CID 89754

22564-43-8

Structural Information

Molecular Formula
C11H16ClN
SMILES
CCN(CCCl)C1=CC=CC(=C1)C
InChI
InChI=1S/C11H16ClN/c1-3-13(8-7-12)11-6-4-5-10(2)9-11/h4-6,9H,3,7-8H2,1-2H3
InChIKey
DLRPOOIAFCOLII-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

118
Patents

197.09712 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.10440 143.5
[M+Na]+ 220.08634 151.1
[M-H]- 196.08984 148.2
[M+NH4]+ 215.13094 164.4
[M+K]+ 236.06028 148.0
[M+H-H2O]+ 180.09438 138.0
[M+HCOO]- 242.09532 164.4
[M+CH3COO]- 256.11097 190.7
[M+Na-2H]- 218.07179 149.0
[M]+ 197.09657 147.1
[M]- 197.09767 147.1
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