CID 121165

2-(bis(2-chloroethyl)amino)acetopiperidine hydrochloride

Structural Information

Molecular Formula
C11H20Cl2N2O
SMILES
C1CCN(CC1)C(=O)CN(CCCl)CCCl
InChI
InChI=1S/C11H20Cl2N2O/c12-4-8-14(9-5-13)10-11(16)15-6-2-1-3-7-15/h1-10H2
InChIKey
ZHINETUXMOOYHF-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.09528 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10256 160.9
[M+Na]+ 289.08450 164.8
[M-H]- 265.08800 162.0
[M+NH4]+ 284.12910 177.2
[M+K]+ 305.05844 161.1
[M+H-H2O]+ 249.09254 154.5
[M+HCOO]- 311.09348 170.4
[M+CH3COO]- 325.10913 199.0
[M+Na-2H]- 287.06995 162.1
[M]+ 266.09473 161.2
[M]- 266.09583 161.2
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.