CID 384756

Nsc675008

Structural Information

Molecular Formula

SMILES

CC1C(O1)C(=O)P(=O)(O)O

InChI

InChI=1S/C4H7O5P/c1-2-3(9-2)4(5)10(6,7)8/h2-3H,1H3,(H2,6,7,8)

InChIKey

WWXADXJEBNSJDO-UHFFFAOYSA-N

Compound name

(3-methyloxirane-2-carbonyl)phosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 166.00311 Da
Monoisotopic Mass: -1.7
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]+	167.01039	132.1
[M+Na]+	188.99233	142.2
[M-H]-	164.99583	134.5
[M+NH4]+	184.03693	146.0
[M+K]+	204.96627	141.4
[M+H-H2O]+	149.00037	125.3
[M+HCOO]-	211.00131	156.6
[M+CH3COO]-	225.01696	175.7
[M+Na-2H]-	186.97778	136.4
[M]+	166.00256	137.5
[M]-	166.00366	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.