CID 92034197

(z)-13-methyltetradec-4-enoic acid

Structural Information

Molecular Formula
C15H28O2
SMILES
CC(C)CCCCCCC/C=C\CCC(=O)O
InChI
InChI=1S/C15H28O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7-
InChIKey
ZSGGBTWUFCJULA-CLFYSBASSA-N
Compound name
(Z)-13-methyltetradec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.216196 164.9
[M+Na]+ 263.198138 168.2
[M-H]- 239.201644 162.4
[M+NH4]+ 258.242743 181.9
[M+K]+ 279.172078 165.4
[M+H-H2O]+ 223.206180 159.2
[M+HCOO]- 285.207121 183.2
[M+CH3COO]- 299.222771 194.8
[M+Na-2H]- 261.183586 164.2
[M]+ 240.20837142 167.8
[M]- 240.20946858 167.8
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.