CID 162511

Einecs 255-778-6

Structural Information

Molecular Formula
C11H16O
SMILES
CC(=O)C1C2CC(C1(C)C)C=C2
InChI
InChI=1S/C11H16O/c1-7(12)10-8-4-5-9(6-8)11(10,2)3/h4-5,8-10H,6H2,1-3H3
InChIKey
SCWUMJVMCMYITJ-UHFFFAOYSA-N
Compound name
1-(3,3-dimethyl-2-bicyclo[2.2.1]hept-5-enyl)ethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

164.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 138.2
[M+Na]+ 187.10934 147.2
[M-H]- 163.11284 141.8
[M+NH4]+ 182.15394 166.5
[M+K]+ 203.08328 144.9
[M+H-H2O]+ 147.11738 135.2
[M+HCOO]- 209.11832 159.7
[M+CH3COO]- 223.13397 181.0
[M+Na-2H]- 185.09479 141.2
[M]+ 164.11957 139.2
[M]- 164.12067 139.2
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