CID 20459358

83846-53-1

Structural Information

Molecular Formula
C13H18O
SMILES
CC1C=C(CCC12CCC(=O)C=C2)C
InChI
InChI=1S/C13H18O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h4,7,9,11H,3,5-6,8H2,1-2H3
InChIKey
CZZDWTTUPHCLPO-UHFFFAOYSA-N
Compound name
9,11-dimethylspiro[5.5]undeca-4,9-dien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

190.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 142.0
[M+Na]+ 213.124988 148.8
[M-H]- 189.128494 147.6
[M+NH4]+ 208.169593 164.3
[M+K]+ 229.098928 146.1
[M+H-H2O]+ 173.133030 136.3
[M+HCOO]- 235.133971 161.5
[M+CH3COO]- 249.149621 183.7
[M+Na-2H]- 211.110436 147.0
[M]+ 190.13522142 137.6
[M]- 190.13631858 137.6
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