CID 138040183

2243511-85-3

Structural Information

Molecular Formula
C6H12N3OP
SMILES
CN1C=C(C(=N1)N)P(=O)(C)C
InChI
InChI=1S/C6H12N3OP/c1-9-4-5(6(7)8-9)11(2,3)10/h4H,1-3H3,(H2,7,8)
InChIKey
QYYLQKFMFIHBFW-UHFFFAOYSA-N
Compound name
4-dimethylphosphoryl-1-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0718 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.079076 137.9
[M+Na]+ 196.061018 147.2
[M-H]- 172.064524 138.0
[M+NH4]+ 191.105623 157.8
[M+K]+ 212.034958 146.1
[M+H-H2O]+ 156.069060 129.3
[M+HCOO]- 218.070001 165.6
[M+CH3COO]- 232.085651 182.6
[M+Na-2H]- 194.046466 139.9
[M]+ 173.07125142 138.7
[M]- 173.07234858 138.7
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

No patent data available for this compound.