CID 5281149

Falcarinol

Structural Information

Molecular Formula
C17H24O
SMILES
CCCCCCC/C=C\CC#CC#C[C@@H](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/h4,10-11,17-18H,2-3,5-9,12H2,1H3/b11-10-/t17-/m1/s1
InChIKey
UGJAEDFOKNAMQD-QXPKXGMISA-N
Compound name
(3R,9Z)-heptadeca-1,9-dien-4,6-diyn-3-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

98
References

1078
Patents

244.18271 Da
Monoisotopic Mass

5.5
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

literature stripe

Patent stripe

patents stripe