CID 21552752

Dimethylphosphinoyl isocyanate

Structural Information

Molecular Formula
C3H6NO2P
SMILES
CP(=O)(C)N=C=O
InChI
InChI=1S/C3H6NO2P/c1-7(2,6)4-3-5/h1-2H3
InChIKey
ZMCGSUJXFBIZPK-UHFFFAOYSA-N
Compound name
dimethylphosphorylimino(oxo)methane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

119.01362 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02090 120.4
[M+Na]+ 142.00284 129.4
[M-H]- 118.00634 121.7
[M+NH4]+ 137.04744 144.1
[M+K]+ 157.97678 130.1
[M+H-H2O]+ 102.01088 114.2
[M+HCOO]- 164.01182 152.4
[M+CH3COO]- 178.02747 173.1
[M+Na-2H]- 139.98829 127.0
[M]+ 119.01307 123.7
[M]- 119.01417 123.7
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

patents stripe