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]+ 221.153606 161.2
[M+Na]+ 243.135548 168.8
[M-H]- 219.139054 160.0
[M+NH4]+ 238.180153 172.5
[M+K]+ 259.109488 164.6
[M+H-H2O]+ 203.143590 147.9
[M+HCOO]- 265.144531 167.3
[M+CH3COO]- 279.160181 211.3
[M+Na-2H]- 241.120996 159.4
[M]+ 220.14578142 153.0
[M]- 220.14687858 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.