CID 512113

72304-89-3

Structural Information

Molecular Formula

C₁₃H₂₁O₅P

SMILES

COC(=O)P(=O)(OC)OC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C13H21O5P/c1-16-12(14)19(15,17-2)18-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,1-2H3

InChIKey

YYWJIOYRAZIVMY-UHFFFAOYSA-N

Compound name

methyl [1-adamantyloxy(methoxy)phosphoryl]formate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 288.11267 Da
Monoisotopic Mass: 2.3
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]+	289.11995	169.3
[M+Na]+	311.10189	170.5
[M-H]-	287.10539	163.0
[M+NH4]+	306.14649	191.9
[M+K]+	327.07583	170.1
[M+H-H2O]+	271.10993	161.8
[M+HCOO]-	333.11087	179.5
[M+CH3COO]-	347.12652	206.7
[M+Na-2H]-	309.08734	177.4
[M]+	288.11212	174.9
[M]-	288.11322	174.9

Literature stripe

literature stripe

Patent stripe

patents stripe