CID 15210238

Spiro[4.5]dec-8-en-7-one

Structural Information

Molecular Formula
C10H14O
SMILES
C1CCC2(C1)CC=CC(=O)C2
InChI
InChI=1S/C10H14O/c11-9-4-3-7-10(8-9)5-1-2-6-10/h3-4H,1-2,5-8H2
InChIKey
QZSHANOUTPTKIE-UHFFFAOYSA-N
Compound name
spiro[4.5]dec-7-en-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

150.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 133.2
[M+Na]+ 173.09368 139.3
[M-H]- 149.09718 138.4
[M+NH4]+ 168.13828 158.1
[M+K]+ 189.06762 137.2
[M+H-H2O]+ 133.10172 128.0
[M+HCOO]- 195.10266 154.3
[M+CH3COO]- 209.11831 172.4
[M+Na-2H]- 171.07913 138.4
[M]+ 150.10391 127.6
[M]- 150.10501 127.6
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