CID 16206163

Ns00125863

Structural Information

Molecular Formula
C13H24O2
SMILES
CCC(=C)CCCC(C)CC(C)C(=O)O
InChI
InChI=1S/C13H24O2/c1-5-10(2)7-6-8-11(3)9-12(4)13(14)15/h11-12H,2,5-9H2,1,3-4H3,(H,14,15)
InChIKey
UYURTTFESNHISN-UHFFFAOYSA-N
Compound name
2,4-dimethyl-8-methylidenedecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 155.5
[M+Na]+ 235.166848 159.2
[M-H]- 211.170354 153.5
[M+NH4]+ 230.211453 173.5
[M+K]+ 251.140788 157.8
[M+H-H2O]+ 195.174890 150.4
[M+HCOO]- 257.175831 172.5
[M+CH3COO]- 271.191481 191.2
[M+Na-2H]- 233.152296 153.4
[M]+ 212.17708142 156.5
[M]- 212.17817858 156.5
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.