CID 129662470

(z)-6-tetradecene-1,3-diyne-5,8-diol

Structural Information

Molecular Formula
C14H20O2
SMILES
CCCCCCC(/C=C\C(C#CC#C)O)O
InChI
InChI=1S/C14H20O2/c1-3-5-7-8-10-14(16)12-11-13(15)9-6-4-2/h2,11-16H,3,5,7-8,10H2,1H3/b12-11-
InChIKey
AGXXOOILRXZQTH-QXMHVHEDSA-N
Compound name
(Z)-tetradec-6-en-1,3-diyne-5,8-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 161.2
[M+Na]+ 243.13555 168.8
[M-H]- 219.13905 160.0
[M+NH4]+ 238.18015 172.5
[M+K]+ 259.10949 164.6
[M+H-H2O]+ 203.14359 147.9
[M+HCOO]- 265.14453 167.3
[M+CH3COO]- 279.16018 211.3
[M+Na-2H]- 241.12100 159.4
[M]+ 220.14578 153.0
[M]- 220.14688 153.0
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.