CID 224779

Mls002638326

Structural Information

Molecular Formula
C8H18NO3P
SMILES
CCCC1C(COP(=O)(O1)N)CC
InChI
InChI=1S/C8H18NO3P/c1-3-5-8-7(4-2)6-11-13(9,10)12-8/h7-8H,3-6H2,1-2H3,(H2,9,10)
InChIKey
SQVIKHLRXOQWRH-UHFFFAOYSA-N
Compound name
5-ethyl-2-oxo-4-propyl-1,3,2lambda5-dioxaphosphinan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

207.10243 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.10971 149.1
[M+Na]+ 230.09165 155.5
[M-H]- 206.09515 152.1
[M+NH4]+ 225.13625 167.7
[M+K]+ 246.06559 156.9
[M+H-H2O]+ 190.09969 141.8
[M+HCOO]- 252.10063 174.0
[M+CH3COO]- 266.11628 188.0
[M+Na-2H]- 228.07710 151.9
[M]+ 207.10188 150.0
[M]- 207.10298 150.0
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

No patent data available for this compound.