CID 10423283

6-(hydroxymethyl)-3-methyl-6-nonyloxan-2-one

Structural Information

Molecular Formula
C16H30O3
SMILES
CCCCCCCCCC1(CCC(C(=O)O1)C)CO
InChI
InChI=1S/C16H30O3/c1-3-4-5-6-7-8-9-11-16(13-17)12-10-14(2)15(18)19-16/h14,17H,3-13H2,1-2H3
InChIKey
OEXPVULGTKWKEH-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-3-methyl-6-nonyloxan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.21948 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.22676 167.6
[M+Na]+ 293.20870 171.6
[M-H]- 269.21220 169.1
[M+NH4]+ 288.25330 184.3
[M+K]+ 309.18264 169.9
[M+H-H2O]+ 253.21674 162.1
[M+HCOO]- 315.21768 183.9
[M+CH3COO]- 329.23333 198.0
[M+Na-2H]- 291.19415 169.7
[M]+ 270.21893 169.3
[M]- 270.22003 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.