CID 512081

72305-18-1

Structural Information

Molecular Formula

C₁₁H₁₇O₅P

SMILES

C1C2CC3CC1CC(C2)(C3)OP(=O)(C(=O)O)O

InChI

InChI=1S/C11H17O5P/c12-10(13)17(14,15)16-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)(H,14,15)

InChIKey

ZMSQQHWYBIZGQA-UHFFFAOYSA-N

Compound name

[1-adamantyloxy(hydroxy)phosphoryl]formic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.08136 Da
Monoisotopic Mass: 1.5
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]+	261.08864	161.8
[M+Na]+	283.07058	163.2
[M-H]-	259.07408	153.2
[M+NH4]+	278.11518	184.2
[M+K]+	299.04452	161.7
[M+H-H2O]+	243.07862	155.4
[M+HCOO]-	305.07956	169.7
[M+CH3COO]-	319.09521	197.1
[M+Na-2H]-	281.05603	170.2
[M]+	260.08081	163.5
[M]-	260.08191	163.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.