CID 512111

59682-37-0

Structural Information

Molecular Formula

C₈H₁₇O₅P

SMILES

CC(C)OP(=O)(C(=O)OC)OC(C)C

InChI

InChI=1S/C8H17O5P/c1-6(2)12-14(10,8(9)11-5)13-7(3)4/h6-7H,1-5H3

InChIKey

CXUALEMNOCCUTK-UHFFFAOYSA-N

Compound name

methyl di(propan-2-yloxy)phosphorylformate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 224.08136 Da
Monoisotopic Mass: 1.3
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]+	225.08864	149.7
[M+Na]+	247.07058	156.0
[M-H]-	223.07408	149.0
[M+NH4]+	242.11518	168.6
[M+K]+	263.04452	158.1
[M+H-H2O]+	207.07862	142.9
[M+HCOO]-	269.07956	175.2
[M+CH3COO]-	283.09521	190.5
[M+Na-2H]-	245.05603	149.9
[M]+	224.08081	157.0
[M]-	224.08191	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe