CID 605776

138345-00-3

Structural Information

Molecular Formula
C17H26O2
SMILES
CC(C)(C)C1=CC2(CCCO2)C=C(C1=O)C(C)(C)C
InChI
InChI=1S/C17H26O2/c1-15(2,3)12-10-17(8-7-9-19-17)11-13(14(12)18)16(4,5)6/h10-11H,7-9H2,1-6H3
InChIKey
NXVCHTCAMYVBEC-UHFFFAOYSA-N
Compound name
7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.19327 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.200546 161.6
[M+Na]+ 285.182488 168.7
[M-H]- 261.185994 168.0
[M+NH4]+ 280.227093 182.0
[M+K]+ 301.156428 167.4
[M+H-H2O]+ 245.190530 157.7
[M+HCOO]- 307.191471 178.1
[M+CH3COO]- 321.207121 196.9
[M+Na-2H]- 283.167936 166.4
[M]+ 262.19272142 161.9
[M]- 262.19381858 161.9
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.