CID 171120240

(z)-7,10-dihydroxytetradec-5-en-8-ynoic acid

Structural Information

Molecular Formula
C14H22O4
SMILES
CCCCC(C#CC(/C=C\CCCC(=O)O)O)O
InChI
InChI=1S/C14H22O4/c1-2-3-7-12(15)10-11-13(16)8-5-4-6-9-14(17)18/h5,8,12-13,15-16H,2-4,6-7,9H2,1H3,(H,17,18)/b8-5-
InChIKey
WSAOFJBMEVAKDJ-YVMONPNESA-N
Compound name
(Z)-7,10-dihydroxytetradec-5-en-8-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.15181 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15909 163.2
[M+Na]+ 277.14103 168.7
[M-H]- 253.14453 158.3
[M+NH4]+ 272.18563 176.5
[M+K]+ 293.11497 165.2
[M+H-H2O]+ 237.14907 152.1
[M+HCOO]- 299.15001 173.7
[M+CH3COO]- 313.16566 196.0
[M+Na-2H]- 275.12648 160.7
[M]+ 254.15126 158.1
[M]- 254.15236 158.1
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.