CID 104345

Einecs 258-229-9

Structural Information

Molecular Formula
C8H15N2O5P
SMILES
CCOP(=O)(CCC#N)OCCOC(=O)N
InChI
InChI=1S/C8H15N2O5P/c1-2-14-16(12,7-3-4-9)15-6-5-13-8(10)11/h2-3,5-7H2,1H3,(H2,10,11)
InChIKey
GNWOSSPXKVFSFR-UHFFFAOYSA-N
Compound name
2-[2-cyanoethyl(ethoxy)phosphoryl]oxyethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07185 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.079126 147.5
[M+Na]+ 273.061068 154.5
[M-H]- 249.064574 146.5
[M+NH4]+ 268.105673 162.9
[M+K]+ 289.035008 155.8
[M+H-H2O]+ 233.069110 133.6
[M+HCOO]- 295.070051 171.4
[M+CH3COO]- 309.085701 205.4
[M+Na-2H]- 271.046516 149.9
[M]+ 250.07130142 148.3
[M]- 250.07239858 148.3
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.