CID 14107528

228113-75-5

Structural Information

Molecular Formula
C11H16O
SMILES
CC(=O)C1=CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1S/C11H16O/c1-7(12)9-5-4-8-6-10(9)11(8,2)3/h5,8,10H,4,6H2,1-3H3/t8-,10-/m0/s1
InChIKey
KVEJFJCLGGIDJP-WPRPVWTQSA-N
Compound name
1-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 148.1
[M+Na]+ 187.10934 154.4
[M-H]- 163.11284 147.9
[M+NH4]+ 182.15394 168.8
[M+K]+ 203.08328 155.3
[M+H-H2O]+ 147.11738 140.2
[M+HCOO]- 209.11832 161.7
[M+CH3COO]- 223.13397 189.3
[M+Na-2H]- 185.09479 156.5
[M]+ 164.11957 160.3
[M]- 164.12067 160.3
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.