CID 165604104

2731008-87-8

Structural Information

Molecular Formula
C5H9N2OP
SMILES
CP(=O)(C)C1=CNN=C1
InChI
InChI=1S/C5H9N2OP/c1-9(2,8)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)
InChIKey
YTUJPBLYXGOTJA-UHFFFAOYSA-N
Compound name
4-dimethylphosphoryl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.04524 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.05252 130.9
[M+Na]+ 167.03446 139.3
[M-H]- 143.03796 129.6
[M+NH4]+ 162.07906 151.3
[M+K]+ 183.00840 138.0
[M+H-H2O]+ 127.04250 122.6
[M+HCOO]- 189.04344 157.1
[M+CH3COO]- 203.05909 170.4
[M+Na-2H]- 165.01991 134.8
[M]+ 144.04469 130.6
[M]- 144.04579 130.6
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.