CID 6365593

Rcxxcyutlkktba-uhfffaoysa-l

Structural Information

Molecular Formula

C₁₂H₂₇O₄P

SMILES

CCCCCCCC(CC(C)C)OP(=O)(O)O

InChI

InChI=1S/C12H27O4P/c1-4-5-6-7-8-9-12(10-11(2)3)16-17(13,14)15/h11-12H,4-10H2,1-3H3,(H2,13,14,15)

InChIKey

YYTYVRWTOTZFLH-UHFFFAOYSA-N

Compound name

2-methylundecan-4-yl dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.1647 Da
Monoisotopic Mass: 3.6
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]+	267.171976	171.5
[M+Na]+	289.153918	175.0
[M-H]-	265.157424	166.9
[M+NH4]+	284.198523	187.3
[M+K]+	305.127858	173.9
[M+H-H2O]+	249.161960	164.2
[M+HCOO]-	311.162901	193.0
[M+CH3COO]-	325.178551	196.1
[M+Na-2H]-	287.139366	169.1
[M]+	266.16415142	176.2
[M]-	266.16524858	176.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe