CID 122362178

Dtxsid20885391

Structural Information

Molecular Formula
C18H28O2
SMILES
CC(=O)OCC=C1[C@H]2CC[C@@H]3[C@H]2C(CCC[C@@]31C)(C)C
InChI
InChI=1S/C18H28O2/c1-12(19)20-11-8-14-13-6-7-15-16(13)17(2,3)9-5-10-18(14,15)4/h8,13,15-16H,5-7,9-11H2,1-4H3/t13-,15-,16+,18-/m1/s1
InChIKey
GKYMEBBVOZBYSE-NYCLONFESA-N
Compound name
2-[(1R,2R,7S,9S)-3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanylidene]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 161.4
[M+Na]+ 299.19814 167.0
[M+NH4]+ 294.24274 171.5
[M+K]+ 315.17208 162.6
[M-H]- 275.20164 161.3
[M+Na-2H]- 297.18359 163.1
[M]+ 276.20837 162.2
[M]- 276.20947 162.2
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.