CID 75574

Isobutyl dihydrogen phosphate

Structural Information

Molecular Formula

C₄H₁₁O₄P

SMILES

CC(C)COP(=O)(O)O

InChI

InChI=1S/C4H11O4P/c1-4(2)3-8-9(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)

InChIKey

SVBLDLLXNRGMBG-UHFFFAOYSA-N

Compound name

2-methylpropyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1109
Patents: 154.03949 Da
Monoisotopic Mass: -0.2
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]+	155.046766	133.5
[M+Na]+	177.028708	140.6
[M-H]-	153.032214	130.2
[M+NH4]+	172.073313	153.8
[M+K]+	193.002648	140.9
[M+H-H2O]+	137.036750	127.6
[M+HCOO]-	199.037691	158.6
[M+CH3COO]-	213.053341	171.0
[M+Na-2H]-	175.014156	136.5
[M]+	154.03894142	135.8
[M]-	154.04003858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe