CID 97755

Dtxsid20884243

Structural Information

Molecular Formula
C12H16O
SMILES
CC1C2CC(C1C=CC(=O)C)C=C2
InChI
InChI=1S/C12H16O/c1-8(13)3-6-12-9(2)10-4-5-11(12)7-10/h3-6,9-12H,7H2,1-2H3
InChIKey
YUGCMCNBXRSJKU-UHFFFAOYSA-N
Compound name
4-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)but-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12740 143.1
[M+Na]+ 199.10934 151.0
[M-H]- 175.11284 146.2
[M+NH4]+ 194.15394 168.9
[M+K]+ 215.08328 148.0
[M+H-H2O]+ 159.11738 139.2
[M+HCOO]- 221.11832 164.5
[M+CH3COO]- 235.13397 182.9
[M+Na-2H]- 197.09479 144.3
[M]+ 176.11957 143.4
[M]- 176.12067 143.4
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

No patent data available for this compound.