CID 6436059

Bornelone

Structural Information

Molecular Formula
C14H20O
SMILES
CC(=O)/C=C/C=C\1/C2CCC(C2)C1(C)C
InChI
InChI=1S/C14H20O/c1-10(15)5-4-6-13-11-7-8-12(9-11)14(13,2)3/h4-6,11-12H,7-9H2,1-3H3/b5-4+,13-6-
InChIKey
WDMFHQNUSVLQMS-XFYQWYMDSA-N
Compound name
(E,5Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

1159
Patents

204.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 151.9
[M+Na]+ 227.14063 160.0
[M+NH4]+ 222.18523 161.8
[M+K]+ 243.11457 155.0
[M-H]- 203.14413 151.6
[M+Na-2H]- 225.12608 153.1
[M]+ 204.15086 152.8
[M]- 204.15196 152.8
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.