CID 11970542

65166-24-7

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCCCCC(O)(O)OC(=O)C
InChI
InChI=1S/C18H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20,21)22-17(2)19/h20-21H,3-16H2,1-2H3
InChIKey
ROGBWQNVTRCXCE-UHFFFAOYSA-N
Compound name
1,1-dihydroxyhexadecyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26135 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 185.4
[M+Na]+ 339.25057 187.1
[M-H]- 315.25407 180.9
[M+NH4]+ 334.29517 198.7
[M+K]+ 355.22451 184.3
[M+H-H2O]+ 299.25861 179.3
[M+HCOO]- 361.25955 200.8
[M+CH3COO]- 375.27520 205.5
[M+Na-2H]- 337.23602 184.7
[M]+ 316.26080 191.3
[M]- 316.26190 191.3
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.