CID 10038462

678981-31-2

Structural Information

Molecular Formula
C17H28O2
SMILES
CC1CC(=CCC12CCCC(C2OC(=O)C)(C)C)C
InChI
InChI=1S/C17H28O2/c1-12-7-10-17(13(2)11-12)9-6-8-16(4,5)15(17)19-14(3)18/h7,13,15H,6,8-11H2,1-5H3
InChIKey
OOEDQCLPDCXMMC-UHFFFAOYSA-N
Compound name
(3,5,10,10-tetramethylspiro[5.5]undec-2-en-11-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

291
Patents

264.20892 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 164.9
[M+Na]+ 287.19814 175.8
[M+NH4]+ 282.24274 176.3
[M+K]+ 303.17208 165.4
[M-H]- 263.20164 168.2
[M+Na-2H]- 285.18359 171.8
[M]+ 264.20837 167.7
[M]- 264.20947 167.7
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