CID 12546116

Spiro[4.5]dec-2-en-1-one

Structural Information

Molecular Formula
C10H14O
SMILES
C1CCC2(CC1)CC=CC2=O
InChI
InChI=1S/C10H14O/c11-9-5-4-8-10(9)6-2-1-3-7-10/h4-5H,1-3,6-8H2
InChIKey
AKLGGVUBCFFSLF-UHFFFAOYSA-N
Compound name
spiro[4.5]dec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

150.10446 Da
Monoisotopic Mass

2.5
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

No literature data available for this compound.

Patent stripe

patents stripe