CID 44147327

Einecs 299-848-4

Structural Information

Molecular Formula
C11H16O
SMILES
C/C(=C\C1CC2CC1C=C2)/CO
InChI
InChI=1S/C11H16O/c1-8(7-12)4-11-6-9-2-3-10(11)5-9/h2-4,9-12H,5-7H2,1H3/b8-4+
InChIKey
OXLZQBOSZATWEA-XBXARRHUSA-N
Compound name
(E)-3-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 141.0
[M+Na]+ 187.109338 147.7
[M-H]- 163.112844 142.4
[M+NH4]+ 182.153943 166.2
[M+K]+ 203.083278 144.7
[M+H-H2O]+ 147.117380 137.0
[M+HCOO]- 209.118321 160.9
[M+CH3COO]- 223.133971 177.0
[M+Na-2H]- 185.094786 142.8
[M]+ 164.11957142 139.4
[M]- 164.12066858 139.4
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

patents stripe