CID 23513562

7,9-dimethylspiro[5.5]undecan-3-one

Structural Information

Molecular Formula
C13H22O
SMILES
CC1CCC2(CCC(=O)CC2)C(C1)C
InChI
InChI=1S/C13H22O/c1-10-3-6-13(11(2)9-10)7-4-12(14)5-8-13/h10-11H,3-9H2,1-2H3
InChIKey
XZZRGHSODLRWGO-UHFFFAOYSA-N
Compound name
9,11-dimethylspiro[5.5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

166
Patents

194.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 145.9
[M+Na]+ 217.15629 150.6
[M-H]- 193.15979 150.6
[M+NH4]+ 212.20089 167.7
[M+K]+ 233.13023 148.2
[M+H-H2O]+ 177.16433 140.2
[M+HCOO]- 239.16527 162.3
[M+CH3COO]- 253.18092 184.5
[M+Na-2H]- 215.14174 148.7
[M]+ 194.16652 138.5
[M]- 194.16762 138.5
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