CID 23243

Bipiperidyl mustard

Structural Information

Molecular Formula
C14H26Cl2N2
SMILES
C1CN(CCC1C2CCN(CC2)CCCl)CCCl
InChI
InChI=1S/C14H26Cl2N2/c15-5-11-17-7-1-13(2-8-17)14-3-9-18(10-4-14)12-6-16/h13-14H,1-12H2
InChIKey
JQIFJRXHLHKEAJ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-4-[1-(2-chloroethyl)piperidin-4-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

12
Patents

292.1473 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.15458 171.3
[M+Na]+ 315.13652 174.5
[M-H]- 291.14002 171.8
[M+NH4]+ 310.18112 184.8
[M+K]+ 331.11046 168.7
[M+H-H2O]+ 275.14456 162.6
[M+HCOO]- 337.14550 174.4
[M+CH3COO]- 351.16115 199.9
[M+Na-2H]- 313.12197 170.2
[M]+ 292.14675 166.3
[M]- 292.14785 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe