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 165.7
[M+Na]+ 292.12054 171.4
[M-H]- 268.12404 166.0
[M+NH4]+ 287.16514 184.1
[M+K]+ 308.09448 167.7
[M+H-H2O]+ 252.12858 161.6
[M+HCOO]- 314.12952 178.2
[M+CH3COO]- 328.14517 204.1
[M+Na-2H]- 290.10599 168.4
[M]+ 269.13077 173.3
[M]- 269.13187 173.3
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.