CID 19800828

Monoisononyl phosphate

Structural Information

Molecular Formula

C₉H₂₁O₄P

SMILES

CC(C)CCCCCCOP(=O)(O)O

InChI

InChI=1S/C9H21O4P/c1-9(2)7-5-3-4-6-8-13-14(10,11)12/h9H,3-8H2,1-2H3,(H2,10,11,12)

InChIKey

IDXWQJNXMQJTCW-UHFFFAOYSA-N

Compound name

7-methyloctyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 301
Patents: 224.11775 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]+	225.12503	157.4
[M+Na]+	247.10697	162.4
[M-H]-	223.11047	153.2
[M+NH4]+	242.15157	174.9
[M+K]+	263.08091	161.5
[M+H-H2O]+	207.11501	150.5
[M+HCOO]-	269.11595	180.9
[M+CH3COO]-	283.13160	186.2
[M+Na-2H]-	245.09242	157.7
[M]+	224.11720	161.6
[M]-	224.11830	161.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe