CID 6508615

1,10-heptadecadiene-5,7-diyn-3-ol, (e)-

Structural Information

Molecular Formula
C17H24O
SMILES
CCCCCC/C=C/CC#CC#CCC(C=C)O
InChI
InChI=1S/C17H24O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17(18)4-2/h4,9-10,17-18H,2-3,5-8,11,16H2,1H3/b10-9+
InChIKey
FXXPOEXJAUWMMJ-MDZDMXLPSA-N
Compound name
(10E)-heptadeca-1,10-dien-5,7-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.18271 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 165.7
[M+Na]+ 267.17193 173.4
[M-H]- 243.17543 165.2
[M+NH4]+ 262.21653 177.1
[M+K]+ 283.14587 168.0
[M+H-H2O]+ 227.17997 152.1
[M+HCOO]- 289.18091 172.8
[M+CH3COO]- 303.19656 215.6
[M+Na-2H]- 265.15738 164.3
[M]+ 244.18216 158.5
[M]- 244.18326 158.5
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

patents stripe