CID 89694618

1-{spiro[2.5]octan-6-yl}ethan-1-one

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=O)C1CCC2(CC1)CC2
InChI
InChI=1S/C10H16O/c1-8(11)9-2-4-10(5-3-9)6-7-10/h9H,2-7H2,1H3
InChIKey
SKKNDSNTENNBFP-UHFFFAOYSA-N
Compound name
1-spiro[2.5]octan-6-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

152.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 135.5
[M+Na]+ 175.109338 142.8
[M-H]- 151.112844 141.7
[M+NH4]+ 170.153943 153.8
[M+K]+ 191.083278 141.7
[M+H-H2O]+ 135.117380 130.2
[M+HCOO]- 197.118321 154.8
[M+CH3COO]- 211.133971 179.4
[M+Na-2H]- 173.094786 140.9
[M]+ 152.11957142 133.9
[M]- 152.12066858 133.9
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