CID 10608828

3-((2-chloroethyl)amino)propyl dihydrogen phosphate

Structural Information

Molecular Formula
C5H13ClNO4P
SMILES
C(CNCCCl)COP(=O)(O)O
InChI
InChI=1S/C5H13ClNO4P/c6-2-4-7-3-1-5-11-12(8,9)10/h7H,1-5H2,(H2,8,9,10)
InChIKey
PITFYGYGJBKWBD-UHFFFAOYSA-N
Compound name
3-(2-chloroethylamino)propyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

217.02707 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.03435 144.8
[M+Na]+ 240.01629 151.6
[M-H]- 216.01979 141.3
[M+NH4]+ 235.06089 163.1
[M+K]+ 255.99023 148.9
[M+H-H2O]+ 200.02433 139.1
[M+HCOO]- 262.02527 167.2
[M+CH3COO]- 276.04092 182.2
[M+Na-2H]- 238.00174 148.6
[M]+ 217.02652 149.0
[M]- 217.02762 149.0
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