CID 154577103

2418642-39-2

Structural Information

Molecular Formula
C7H12N3OP
SMILES
CC1=NC=C(C(=N1)N)P(=O)(C)C
InChI
InChI=1S/C7H12N3OP/c1-5-9-4-6(7(8)10-5)12(2,3)11/h4H,1-3H3,(H2,8,9,10)
InChIKey
RIQYMUQCUVXSPS-UHFFFAOYSA-N
Compound name
5-dimethylphosphoryl-2-methylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.0718 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07908 142.1
[M+Na]+ 208.06102 151.3
[M-H]- 184.06452 142.2
[M+NH4]+ 203.10562 159.8
[M+K]+ 224.03496 149.5
[M+H-H2O]+ 168.06906 133.1
[M+HCOO]- 230.07000 168.9
[M+CH3COO]- 244.08565 185.6
[M+Na-2H]- 206.04647 145.7
[M]+ 185.07125 142.7
[M]- 185.07235 142.7
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.