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
3
Annotation Hits

0
References

292
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 162.6
[M+Na]+ 287.19814 168.4
[M-H]- 263.20164 167.8
[M+NH4]+ 282.24274 184.1
[M+K]+ 303.17208 166.3
[M+H-H2O]+ 247.20618 157.3
[M+HCOO]- 309.20712 178.4
[M+CH3COO]- 323.22277 199.3
[M+Na-2H]- 285.18359 164.0
[M]+ 264.20837 159.8
[M]- 264.20947 159.8
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