CID 74544

Dipropyl hydrogen phosphate

Structural Information

Molecular Formula

C₆H₁₅O₄P

SMILES

CCCOP(=O)(O)OCCC

InChI

InChI=1S/C6H15O4P/c1-3-5-9-11(7,8)10-6-4-2/h3-6H2,1-2H3,(H,7,8)

InChIKey

QVKQJEWZVQFGIY-UHFFFAOYSA-N

Compound name

dipropyl hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 2121
Patents: 182.0708 Da
Monoisotopic Mass: 0.4
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]+	183.078076	141.9
[M+Na]+	205.060018	148.8
[M-H]-	181.063524	139.6
[M+NH4]+	200.104623	161.9
[M+K]+	221.033958	149.1
[M+H-H2O]+	165.068060	135.3
[M+HCOO]-	227.069001	168.9
[M+CH3COO]-	241.084651	178.9
[M+Na-2H]-	203.045466	145.6
[M]+	182.07025142	147.6
[M]-	182.07134858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe