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 167.8
[M+Na]+ 299.19814 175.7
[M-H]- 275.20164 172.2
[M+NH4]+ 294.24274 196.1
[M+K]+ 315.17208 171.8
[M+H-H2O]+ 259.20618 164.4
[M+HCOO]- 321.20712 184.1
[M+CH3COO]- 335.22277 202.0
[M+Na-2H]- 297.18359 169.2
[M]+ 276.20837 169.6
[M]- 276.20947 169.6
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.