CID 48354

66903-12-6

Structural Information

Molecular Formula
C12H18ClN
SMILES
CCN(CCCl)C(C)C1=CC=CC=C1
InChI
InChI=1S/C12H18ClN/c1-3-14(10-9-13)11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey
WUFZRKNRSXDJHE-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.11278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.120056 148.9
[M+Na]+ 234.101998 154.9
[M-H]- 210.105504 153.2
[M+NH4]+ 229.146603 168.9
[M+K]+ 250.075938 151.9
[M+H-H2O]+ 194.110040 143.1
[M+HCOO]- 256.110981 168.5
[M+CH3COO]- 270.126631 193.5
[M+Na-2H]- 232.087446 153.3
[M]+ 211.11223142 151.9
[M]- 211.11332858 151.9
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

No patent data available for this compound.