CID 75573

Isopentyl dihydrogen phosphate

Structural Information

Molecular Formula

C₅H₁₃O₄P

SMILES

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

InChI

InChI=1S/C5H13O4P/c1-5(2)3-4-9-10(6,7)8/h5H,3-4H2,1-2H3,(H2,6,7,8)

InChIKey

WCWLEIAMBPYRFJ-UHFFFAOYSA-N

Compound name

3-methylbutyl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 316
Patents: 168.05515 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]+	169.06243	138.3
[M+Na]+	191.04437	145.0
[M-H]-	167.04787	134.9
[M+NH4]+	186.08897	158.1
[M+K]+	207.01831	145.1
[M+H-H2O]+	151.05241	132.2
[M+HCOO]-	213.05335	163.1
[M+CH3COO]-	227.06900	174.1
[M+Na-2H]-	189.02982	140.8
[M]+	168.05460	141.0
[M]-	168.05570	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe