CID 3064207

1-(2-(bis(2-chloroethyl)amino)propionyl)piperidine hydrochloride

Structural Information

Molecular Formula
C12H22Cl2N2O
SMILES
CC(C(=O)N1CCCCC1)N(CCCl)CCCl
InChI
InChI=1S/C12H22Cl2N2O/c1-11(15(9-5-13)10-6-14)12(17)16-7-3-2-4-8-16/h11H,2-10H2,1H3
InChIKey
RBGXJYMPGWWBPP-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-1-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.11093 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11821 165.0
[M+Na]+ 303.10015 168.3
[M-H]- 279.10365 166.1
[M+NH4]+ 298.14475 180.8
[M+K]+ 319.07409 164.8
[M+H-H2O]+ 263.10819 158.7
[M+HCOO]- 325.10913 173.3
[M+CH3COO]- 339.12478 202.7
[M+Na-2H]- 301.08560 164.6
[M]+ 280.11038 165.2
[M]- 280.11148 165.2
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.