CID 169492829

9-(acyloxy)-octadecanoate

Structural Information

Molecular Formula
C19H36O4
SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)OC=O
InChI
InChI=1S/C19H36O4/c1-2-3-4-5-6-8-11-14-18(23-17-20)15-12-9-7-10-13-16-19(21)22/h17-18H,2-16H2,1H3,(H,21,22)
InChIKey
COPBKSOUDBRZBT-UHFFFAOYSA-N
Compound name
9-formyloxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.26135 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.26863 188.2
[M+Na]+ 351.25057 189.5
[M-H]- 327.25407 184.6
[M+NH4]+ 346.29517 201.3
[M+K]+ 367.22451 186.7
[M+H-H2O]+ 311.25861 181.1
[M+HCOO]- 373.25955 205.5
[M+CH3COO]- 387.27520 211.2
[M+Na-2H]- 349.23602 185.4
[M]+ 328.26080 195.6
[M]- 328.26190 195.6
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.