CID 11821693

72013-81-1

Structural Information

Molecular Formula

C₁₆H₃₀O₃

SMILES

CCOC(=O)CC1(CCCCCCCCCCC1)O

InChI

InChI=1S/C16H30O3/c1-2-19-15(17)14-16(18)12-10-8-6-4-3-5-7-9-11-13-16/h18H,2-14H2,1H3

InChIKey

DOYUNYYERFSZJK-UHFFFAOYSA-N

Compound name

ethyl 2-(1-hydroxycyclododecyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 270.21948 Da
Monoisotopic Mass: 5.2
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]+	271.226756	168.5
[M+Na]+	293.208698	169.2
[M-H]-	269.212204	166.6
[M+NH4]+	288.253303	182.7
[M+K]+	309.182638	168.5
[M+H-H2O]+	253.216740	165.9
[M+HCOO]-	315.217681	182.0
[M+CH3COO]-	329.233331	188.0
[M+Na-2H]-	291.194146	167.9
[M]+	270.21893142	159.6
[M]-	270.22002858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe