CID 10469489

Z-stellettic acid c

Structural Information

Molecular Formula
C19H30O2
SMILES
CC(CCCCC=C)CCC/C=C\C#CCCCC(=O)O
InChI
InChI=1S/C19H30O2/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21/h3,6,8,18H,1,4-5,10-17H2,2H3,(H,20,21)/b8-6-
InChIKey
MYZUKLSBSYDRBA-VURMDHGXSA-N
Compound name
(7Z)-12-methyloctadeca-7,17-dien-5-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.22458 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.23186 173.9
[M+Na]+ 313.21380 179.1
[M-H]- 289.21730 170.8
[M+NH4]+ 308.25840 187.4
[M+K]+ 329.18774 173.6
[M+H-H2O]+ 273.22184 162.1
[M+HCOO]- 335.22278 186.4
[M+CH3COO]- 349.23843 208.7
[M+Na-2H]- 311.19925 171.4
[M]+ 290.22403 171.4
[M]- 290.22513 171.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.