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

145
Patents

194.16707 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.174346 145.9
[M+Na]+ 217.156288 150.6
[M-H]- 193.159794 150.6
[M+NH4]+ 212.200893 167.7
[M+K]+ 233.130228 148.2
[M+H-H2O]+ 177.164330 140.2
[M+HCOO]- 239.165271 162.3
[M+CH3COO]- 253.180921 184.5
[M+Na-2H]- 215.141736 148.7
[M]+ 194.16652142 138.5
[M]- 194.16761858 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