CID 97004

Dimethyl acid pyrophosphate

Structural Information

Molecular Formula

C₂H₈O₇P₂

SMILES

COP(=O)(O)OP(=O)(O)OC

InChI

InChI=1S/C2H8O7P2/c1-7-10(3,4)9-11(5,6)8-2/h1-2H3,(H,3,4)(H,5,6)

InChIKey

BPNLLIHZSAFABG-UHFFFAOYSA-N

Compound name

[hydroxy(methoxy)phosphoryl] methyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 130
Patents: 205.97453 Da
Monoisotopic Mass: -2.1
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]+	206.98181	140.0
[M+Na]+	228.96375	147.7
[M-H]-	204.96725	135.9
[M+NH4]+	224.00835	158.4
[M+K]+	244.93769	149.4
[M+H-H2O]+	188.97179	131.9
[M+HCOO]-	250.97273	170.9
[M+CH3COO]-	264.98838	177.7
[M+Na-2H]-	226.94920	144.8
[M]+	205.97398	146.6
[M]-	205.97508	146.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe