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]+ 177.127396 143.1
[M+Na]+ 199.109338 151.0
[M-H]- 175.112844 146.2
[M+NH4]+ 194.153943 168.9
[M+K]+ 215.083278 148.0
[M+H-H2O]+ 159.117380 139.2
[M+HCOO]- 221.118321 164.5
[M+CH3COO]- 235.133971 182.9
[M+Na-2H]- 197.094786 144.3
[M]+ 176.11957142 143.4
[M]- 176.12066858 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.