CID 382507

Nsc670114

Structural Information

Molecular Formula
C9H17N2O5P
SMILES
CCOP(=O)(C(C)(C)OC(=O)NC#N)OCC
InChI
InChI=1S/C9H17N2O5P/c1-5-14-17(13,15-6-2)9(3,4)16-8(12)11-7-10/h5-6H2,1-4H3,(H,11,12)
InChIKey
HZMXAFKHWPRSQU-UHFFFAOYSA-N
Compound name
2-diethoxyphosphorylpropan-2-yl N-cyanocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.0875 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09478 154.6
[M+Na]+ 287.07672 161.6
[M-H]- 263.08022 154.3
[M+NH4]+ 282.12132 169.9
[M+K]+ 303.05066 163.5
[M+H-H2O]+ 247.08476 141.2
[M+HCOO]- 309.08570 177.4
[M+CH3COO]- 323.10135 208.4
[M+Na-2H]- 285.06217 158.4
[M]+ 264.08695 156.0
[M]- 264.08805 156.0
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.