CID 112745

Einecs 263-253-8

Structural Information

Molecular Formula
C18H28O2
SMILES
CC(=O)OCC1=C2C([C@H]3CCC2(C3)C(CC1)(C)C)(C)C
InChI
InChI=1S/C18H28O2/c1-12(19)20-11-13-6-8-16(2,3)18-9-7-14(10-18)17(4,5)15(13)18/h14H,6-11H2,1-5H3/t14-,18?/m0/s1
InChIKey
WKKCENUZQQZVOF-PIVQAISJSA-N
Compound name
[(8S)-2,2,7,7-tetramethyl-5-tricyclo[6.2.1.01,6]undec-5-enyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

276.20892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 166.7
[M+Na]+ 299.19814 174.9
[M+NH4]+ 294.24274 179.8
[M+K]+ 315.17208 166.6
[M-H]- 275.20164 167.5
[M+Na-2H]- 297.18359 170.7
[M]+ 276.20837 168.4
[M]- 276.20947 168.4
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.