CID 154728690

2639424-58-9

Structural Information

Molecular Formula
C6H10N3OP
SMILES
CP(=O)(C)C1=NC(=NC=C1)N
InChI
InChI=1S/C6H10N3OP/c1-11(2,10)5-3-4-8-6(7)9-5/h3-4H,1-2H3,(H2,7,8,9)
InChIKey
QWFNUVTULNOSKG-UHFFFAOYSA-N
Compound name
4-dimethylphosphorylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.05615 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06343 137.5
[M+Na]+ 194.04537 146.3
[M-H]- 170.04887 137.4
[M+NH4]+ 189.08997 155.5
[M+K]+ 210.01931 144.6
[M+H-H2O]+ 154.05341 128.5
[M+HCOO]- 216.05435 164.6
[M+CH3COO]- 230.07000 181.4
[M+Na-2H]- 192.03082 142.4
[M]+ 171.05560 137.4
[M]- 171.05670 137.4
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.