CID 217

Hmp-pp

Structural Information

Molecular Formula

C₆H₁₁N₃O₇P₂

SMILES

CC1=NC=C(C(=N1)N)COP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)

InChIKey

AGQJQCFEPUVXNK-UHFFFAOYSA-N

Compound name

(4-amino-2-methylpyrimidin-5-yl)methyl phosphono hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 15
References: 89
Patents: 299.00723 Da
Monoisotopic Mass: -2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.01451	163.2
[M+Na]+	321.99645	169.5
[M-H]-	297.99995	158.0
[M+NH4]+	317.04105	173.6
[M+K]+	337.97039	169.4
[M+H-H2O]+	282.00449	151.8
[M+HCOO]-	344.00543	190.0
[M+CH3COO]-	358.02108	196.2
[M+Na-2H]-	319.98190	165.7
[M]+	299.00668	165.3
[M]-	299.00778	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe