CID 216

(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate

Structural Information

Molecular Formula
C6H10N3O4P
SMILES
CC1=NC=C(C(=N1)N)COP(=O)(O)O
InChI
InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)
InChIKey
PKYFHKIYHBRTPI-UHFFFAOYSA-N
Compound name
(4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

97
Patents

219.0409 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.04818 146.8
[M+Na]+ 242.03012 155.0
[M-H]- 218.03362 144.2
[M+NH4]+ 237.07472 161.3
[M+K]+ 258.00406 153.4
[M+H-H2O]+ 202.03816 137.8
[M+HCOO]- 264.03910 171.5
[M+CH3COO]- 278.05475 184.3
[M+Na-2H]- 240.01557 150.4
[M]+ 219.04035 147.4
[M]- 219.04145 147.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe