CID 116437

Phosphoric acid, 2-(diethylamino)ethyl diethyl ester, oxalate

Structural Information

Molecular Formula
C8H20NO4P
SMILES
CCOP(=O)(OCC)OCCN(C)C
InChI
InChI=1S/C8H20NO4P/c1-5-11-14(10,12-6-2)13-8-7-9(3)4/h5-8H2,1-4H3
InChIKey
KCJWSPAGPQAMAD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.11299 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.12027 153.0
[M+Na]+ 248.10221 158.8
[M-H]- 224.10571 153.2
[M+NH4]+ 243.14681 172.3
[M+K]+ 264.07615 160.8
[M+H-H2O]+ 208.11025 145.1
[M+HCOO]- 270.11119 182.4
[M+CH3COO]- 284.12684 196.0
[M+Na-2H]- 246.08766 155.9
[M]+ 225.11244 161.8
[M]- 225.11354 161.8
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.