CID 5312895

10-oxo-14-methyl-pentadecanoic acid

Structural Information

Molecular Formula
C16H30O3
SMILES
CC(C)CCCC(=O)CCCCCCCCC(=O)O
InChI
InChI=1S/C16H30O3/c1-14(2)10-9-12-15(17)11-7-5-3-4-6-8-13-16(18)19/h14H,3-13H2,1-2H3,(H,18,19)
InChIKey
ADOQXSHFCSUOKO-UHFFFAOYSA-N
Compound name
14-methyl-10-oxopentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

270.21948 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.22676 172.5
[M+Na]+ 293.20870 175.0
[M-H]- 269.21220 169.7
[M+NH4]+ 288.25330 188.0
[M+K]+ 309.18264 172.8
[M+H-H2O]+ 253.21674 166.4
[M+HCOO]- 315.21768 189.6
[M+CH3COO]- 329.23333 201.2
[M+Na-2H]- 291.19415 169.9
[M]+ 270.21893 176.6
[M]- 270.22003 176.6
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

patents stripe