CID 10888101

Spiro[4.5]decan-7-one

Structural Information

Molecular Formula
C10H16O
SMILES
C1CCC2(C1)CCCC(=O)C2
InChI
InChI=1S/C10H16O/c11-9-4-3-7-10(8-9)5-1-2-6-10/h1-8H2
InChIKey
SAMPGRWOTZZICV-UHFFFAOYSA-N
Compound name
spiro[4.5]decan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

152.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.3
[M+Na]+ 175.10934 140.3
[M-H]- 151.11284 140.1
[M+NH4]+ 170.15394 160.1
[M+K]+ 191.08328 138.4
[M+H-H2O]+ 135.11738 130.1
[M+HCOO]- 197.11832 154.9
[M+CH3COO]- 211.13397 172.8
[M+Na-2H]- 173.09479 139.4
[M]+ 152.11957 128.2
[M]- 152.12067 128.2
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

patents stripe