CID 6436448

Tricyclo(5.2.1.02,6)dec-3(or 4)-ene, 8-(3-hydroxybutylidene)-

Structural Information

Molecular Formula
C14H20O
SMILES
CC(C/C=C/1\CC2CC1C3C2CC=C3)O
InChI
InChI=1S/C14H20O/c1-9(15)5-6-10-7-11-8-14(10)13-4-2-3-12(11)13/h2,4,6,9,11-15H,3,5,7-8H2,1H3/b10-6+
InChIKey
NCTUENZEJJAZNN-UXBLZVDNSA-N
Compound name
(4E)-4-(8-tricyclo[5.2.1.02,6]dec-4-enylidene)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

204.15141 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 154.7
[M+Na]+ 227.14063 161.1
[M-H]- 203.14413 157.1
[M+NH4]+ 222.18523 181.0
[M+K]+ 243.11457 157.0
[M+H-H2O]+ 187.14867 151.3
[M+HCOO]- 249.14961 172.7
[M+CH3COO]- 263.16526 166.6
[M+Na-2H]- 225.12608 153.4
[M]+ 204.15086 152.7
[M]- 204.15196 152.7
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