CID 6434765

63918-61-6

Structural Information

Molecular Formula
C16H16O
SMILES
C1CC2=C(C=C1)/C=C\C(C3=CC=CC=C3C2)O
InChI
InChI=1S/C16H16O/c17-16-10-9-12-5-1-2-6-13(12)11-14-7-3-4-8-15(14)16/h1,3-5,7-10,16-17H,2,6,11H2/b10-9-
InChIKey
NNRDTDHBXOGJDV-KTKRTIGZSA-N
Compound name
(10Z)-tricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7,10,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12012 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12740 155.2
[M+Na]+ 247.10934 160.2
[M-H]- 223.11284 157.1
[M+NH4]+ 242.15394 164.0
[M+K]+ 263.08328 158.8
[M+H-H2O]+ 207.11738 151.2
[M+HCOO]- 269.11832 163.4
[M+CH3COO]- 283.13397 159.9
[M+Na-2H]- 245.09479 156.4
[M]+ 224.11957 153.8
[M]- 224.12067 153.8
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.