CID 53440552

Panaxyne

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

220.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 160.8
[M+Na]+ 243.135548 168.3
[M-H]- 219.139054 159.6
[M+NH4]+ 238.180153 172.1
[M+K]+ 259.109488 164.2
[M+H-H2O]+ 203.143590 147.6
[M+HCOO]- 265.144531 166.9
[M+CH3COO]- 279.160181 211.8
[M+Na-2H]- 241.120996 159.1
[M]+ 220.14578142 152.7
[M]- 220.14687858 152.7
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