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
3
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 169.0
[M+Na]+ 299.19814 174.1
[M-H]- 275.20164 173.8
[M+NH4]+ 294.24274 193.5
[M+K]+ 315.17208 170.9
[M+H-H2O]+ 259.20618 165.5
[M+HCOO]- 321.20712 184.0
[M+CH3COO]- 335.22277 202.8
[M+Na-2H]- 297.18359 168.1
[M]+ 276.20837 165.9
[M]- 276.20947 165.9
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.