CID 3056152

Pentylamine, n,n-bis(2-chloroethyl)-4-ethoxy-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C12H25Cl2NO
SMILES
CCOC(C)(C)CCCN(CCCl)CCCl
InChI
InChI=1S/C12H25Cl2NO/c1-4-16-12(2,3)6-5-9-15(10-7-13)11-8-14/h4-11H2,1-3H3
InChIKey
BTJHKICJRVEQFE-UHFFFAOYSA-N
Compound name
N,N-bis(2-chloroethyl)-4-ethoxy-4-methylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13132 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13860 163.6
[M+Na]+ 292.12054 173.4
[M+NH4]+ 287.16514 171.2
[M+K]+ 308.09448 166.1
[M-H]- 268.12404 163.2
[M+Na-2H]- 290.10599 166.6
[M]+ 269.13077 165.4
[M]- 269.13187 165.4
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.