CID 535237

Spiro[4.5]decan-7-one, 1,8-dimethyl-4-(1-methylethyl)-

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2(CC1=O)C(CCC2C(C)C)C
InChI
InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h10-13H,5-9H2,1-4H3
InChIKey
HGEHVVBKUMPQRX-UHFFFAOYSA-N
Compound name
1,8-dimethyl-4-propan-2-ylspiro[4.5]decan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 154.7
[M+Na]+ 245.187578 160.1
[M-H]- 221.191084 159.7
[M+NH4]+ 240.232183 177.6
[M+K]+ 261.161518 157.5
[M+H-H2O]+ 205.195620 149.9
[M+HCOO]- 267.196561 171.5
[M+CH3COO]- 281.212211 192.1
[M+Na-2H]- 243.173026 153.3
[M]+ 222.19781142 149.9
[M]- 222.19890858 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.