CID 10374782

3,3-dimethylallyl phosphate

Structural Information

Molecular Formula

C₅H₁₁O₄P

SMILES

CC(=CCOP(=O)(O)O)C

InChI

InChI=1S/C5H11O4P/c1-5(2)3-4-9-10(6,7)8/h3H,4H2,1-2H3,(H2,6,7,8)

InChIKey

MQCJHQBRIPSIKA-UHFFFAOYSA-N

Compound name

3-methylbut-2-enyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 740
Patents: 166.03949 Da
Monoisotopic Mass: -0.1
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]+	167.04677	135.3
[M+Na]+	189.02871	142.7
[M+NH4]+	184.07331	140.4
[M+K]+	205.00265	140.6
[M-H]-	165.03221	131.0
[M+Na-2H]-	187.01416	135.8
[M]+	166.03894	134.5
[M]-	166.04004	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe