CID 85685811

5,6-methylenetetradecanoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CCCCCCCCC1CC1CCCC(=O)O
InChI
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-9-13-12-14(13)10-8-11-15(16)17/h13-14H,2-12H2,1H3,(H,16,17)
InChIKey
HGTLIMXCUHOIQJ-UHFFFAOYSA-N
Compound name
4-(2-octylcyclopropyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 159.6
[M+Na]+ 263.198138 165.7
[M-H]- 239.201644 161.8
[M+NH4]+ 258.242743 172.2
[M+K]+ 279.172078 161.6
[M+H-H2O]+ 223.206180 153.0
[M+HCOO]- 285.207121 179.1
[M+CH3COO]- 299.222771 197.7
[M+Na-2H]- 261.183586 160.5
[M]+ 240.20837142 165.4
[M]- 240.20946858 165.4
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.