CID 15389

Butyl dihydrogen phosphate

Structural Information

Molecular Formula

C₄H₁₁O₄P

SMILES

CCCCOP(=O)(O)O

InChI

InChI=1S/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)

InChIKey

BNMJSBUIDQYHIN-UHFFFAOYSA-N

Compound name

butyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 9087
Patents: 154.03949 Da
Monoisotopic Mass: -0.3
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]+	155.04677	131.4
[M+Na]+	177.02871	139.3
[M+NH4]+	172.07331	137.0
[M+K]+	193.00265	136.6
[M-H]-	153.03221	127.6
[M+Na-2H]-	175.01416	132.7
[M]+	154.03894	130.9
[M]-	154.04004	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe