CID 73717335

Ns00053332

Structural Information

Molecular Formula
C17H30O4
SMILES
CCCCCCCCCC=CCC(CC(=O)O)C(=O)OC
InChI
InChI=1S/C17H30O4/c1-3-4-5-6-7-8-9-10-11-12-13-15(14-16(18)19)17(20)21-2/h11-12,15H,3-10,13-14H2,1-2H3,(H,18,19)
InChIKey
ODEWOYUSIFGKRS-UHFFFAOYSA-N
Compound name
3-methoxycarbonylpentadec-5-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.21442 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.221696 178.4
[M+Na]+ 321.203638 180.9
[M-H]- 297.207144 175.5
[M+NH4]+ 316.248243 192.8
[M+K]+ 337.177578 178.4
[M+H-H2O]+ 281.211680 172.0
[M+HCOO]- 343.212621 195.6
[M+CH3COO]- 357.228271 204.0
[M+Na-2H]- 319.189086 175.4
[M]+ 298.21387142 183.5
[M]- 298.21496858 183.5
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.