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

15
Patents

152.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 135.5
[M+Na]+ 175.10934 142.8
[M-H]- 151.11284 141.7
[M+NH4]+ 170.15394 153.8
[M+K]+ 191.08328 141.7
[M+H-H2O]+ 135.11738 130.2
[M+HCOO]- 197.11832 154.8
[M+CH3COO]- 211.13397 179.4
[M+Na-2H]- 173.09479 140.9
[M]+ 152.11957 133.9
[M]- 152.12067 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