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]+ 174.07908 137.9
[M+Na]+ 196.06102 147.2
[M-H]- 172.06452 138.0
[M+NH4]+ 191.10562 157.8
[M+K]+ 212.03496 146.1
[M+H-H2O]+ 156.06906 129.3
[M+HCOO]- 218.07000 165.6
[M+CH3COO]- 232.08565 182.6
[M+Na-2H]- 194.04647 139.9
[M]+ 173.07125 138.7
[M]- 173.07235 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.