CID 11065049

Lyngbic acid

Structural Information

Molecular Formula
C15H28O3
SMILES
CCCCCCC[C@@H](C/C=C/CCC(=O)O)OC
InChI
InChI=1S/C15H28O3/c1-3-4-5-6-8-11-14(18-2)12-9-7-10-13-15(16)17/h7,9,14H,3-6,8,10-13H2,1-2H3,(H,16,17)/b9-7+/t14-/m0/s1
InChIKey
DHIPOEWPWSLXNL-KGXGESDWSA-N
Compound name
(E,7S)-7-methoxytetradec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

15
Patents

256.20386 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.21114 167.8
[M+Na]+ 279.19308 171.0
[M-H]- 255.19658 165.2
[M+NH4]+ 274.23768 184.1
[M+K]+ 295.16702 168.7
[M+H-H2O]+ 239.20112 161.8
[M+HCOO]- 301.20206 186.3
[M+CH3COO]- 315.21771 196.7
[M+Na-2H]- 277.17853 167.1
[M]+ 256.20331 172.2
[M]- 256.20441 172.2
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

patents stripe