CID 3064258

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

Structural Information

Molecular Formula
C11H20Cl2N2O2
SMILES
CC(C(=O)N1CCOCC1)N(CCCl)CCCl
InChI
InChI=1S/C11H20Cl2N2O2/c1-10(14(4-2-12)5-3-13)11(16)15-6-8-17-9-7-15/h10H,2-9H2,1H3
InChIKey
UPGXHMCCGQMQTO-UHFFFAOYSA-N
Compound name
2-[bis(2-chloroethyl)amino]-1-morpholin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.09018 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09746 164.4
[M+Na]+ 305.07940 168.1
[M-H]- 281.08290 166.4
[M+NH4]+ 300.12400 178.8
[M+K]+ 321.05334 166.3
[M+H-H2O]+ 265.08744 158.1
[M+HCOO]- 327.08838 172.3
[M+CH3COO]- 341.10403 201.8
[M+Na-2H]- 303.06485 165.4
[M]+ 282.08963 166.2
[M]- 282.09073 166.2
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.