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
2
Annotation Hits

0
References

132
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 161.7
[M+Na]+ 299.19814 170.5
[M+NH4]+ 294.24274 177.5
[M+K]+ 315.17208 164.1
[M-H]- 275.20164 168.6
[M+Na-2H]- 297.18359 166.2
[M]+ 276.20837 166.7
[M]- 276.20947 166.7
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