CID 131752165

Dtxsid001139349

Structural Information

Molecular Formula
C17H28O2
SMILES
CC(=O)OC1C2(CCCC1(C3C2CC(C3)(C)C)C)C
InChI
InChI=1S/C17H28O2/c1-11(18)19-14-16(4)7-6-8-17(14,5)13-10-15(2,3)9-12(13)16/h12-14H,6-10H2,1-5H3
InChIKey
UMESJHMLICGCDG-UHFFFAOYSA-N
Compound name
(1,4,4,7-tetramethyl-11-tricyclo[5.3.1.02,6]undecanyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 166.0
[M+Na]+ 287.19814 173.8
[M-H]- 263.20164 169.4
[M+NH4]+ 282.24274 195.0
[M+K]+ 303.17208 169.8
[M+H-H2O]+ 247.20618 163.0
[M+HCOO]- 309.20712 180.8
[M+CH3COO]- 323.22277 199.6
[M+Na-2H]- 285.18359 167.3
[M]+ 264.20837 166.0
[M]- 264.20947 166.0
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.