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

7
Patents

204.15141 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 154.7
[M+Na]+ 227.140628 161.1
[M-H]- 203.144134 157.1
[M+NH4]+ 222.185233 181.0
[M+K]+ 243.114568 157.0
[M+H-H2O]+ 187.148670 151.3
[M+HCOO]- 249.149611 172.7
[M+CH3COO]- 263.165261 166.6
[M+Na-2H]- 225.126076 153.4
[M]+ 204.15086142 152.7
[M]- 204.15195858 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