CID 6477492

Nsc676867

Structural Information

Molecular Formula
C17H20O3
SMILES
CC1(CC2(CC(=C1OC)C(C#C/C=C\C#C2)O)OC)C
InChI
InChI=1S/C17H20O3/c1-16(2)12-17(20-4)10-8-6-5-7-9-14(18)13(11-17)15(16)19-3/h5-6,14,18H,11-12H2,1-4H3/b6-5-
InChIKey
ZDFMSNVIJGOOMH-WAYWQWQTSA-N
Compound name
(5Z)-9,12-dimethoxy-11,11-dimethylbicyclo[7.3.1]trideca-1(12),5-dien-3,7-diyn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.14124 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14852 165.5
[M+Na]+ 295.13046 172.0
[M-H]- 271.13396 164.3
[M+NH4]+ 290.17506 184.5
[M+K]+ 311.10440 170.4
[M+H-H2O]+ 255.13850 163.9
[M+HCOO]- 317.13944 180.4
[M+CH3COO]- 331.15509 194.8
[M+Na-2H]- 293.11591 169.7
[M]+ 272.14069 163.8
[M]- 272.14179 163.8
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

No patent data available for this compound.