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]+ 251.07913 147.5
[M+Na]+ 273.06107 154.5
[M-H]- 249.06457 146.5
[M+NH4]+ 268.10567 162.9
[M+K]+ 289.03501 155.8
[M+H-H2O]+ 233.06911 133.6
[M+HCOO]- 295.07005 171.4
[M+CH3COO]- 309.08570 205.4
[M+Na-2H]- 271.04652 149.9
[M]+ 250.07130 148.3
[M]- 250.07240 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.