CID 100938

Einecs 261-579-5

Structural Information

Molecular Formula
C18H28O2
SMILES
CC(=O)OCC1CCC(C23C14C2CC(C3)C4(C)C)(C)C
InChI
InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3
InChIKey
ANPXCNWSCGYEMA-UHFFFAOYSA-N
Compound name
(5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

136
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 162.4
[M+Na]+ 299.19814 171.9
[M-H]- 275.20164 166.7
[M+NH4]+ 294.24274 190.2
[M+K]+ 315.17208 167.2
[M+H-H2O]+ 259.20618 160.7
[M+HCOO]- 321.20712 173.2
[M+CH3COO]- 335.22277 174.0
[M+Na-2H]- 297.18359 165.9
[M]+ 276.20837 171.6
[M]- 276.20947 171.6
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

patents stripe