CID 165363965

Dtxsid701030982

Structural Information

Molecular Formula
C14H20
SMILES
C[C@]12CC=C[C@]1([C@]3(C[C@@]2(C=C3)C)C)C
InChI
InChI=1S/C14H20/c1-11-8-9-12(2,10-11)14(4)7-5-6-13(11,14)3/h5-6,8-9H,7,10H2,1-4H3/t11-,12+,13+,14-/m1/s1
InChIKey
FIJGEAGQLRPRSA-ZOBORPQBSA-N
Compound name
(1S,2S,6R,7R)-1,2,6,7-tetramethyltricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.1565 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.163776 146.0
[M+Na]+ 211.145718 157.5
[M-H]- 187.149224 151.3
[M+NH4]+ 206.190323 181.3
[M+K]+ 227.119658 152.6
[M+H-H2O]+ 171.153760 143.2
[M+HCOO]- 233.154701 167.6
[M+CH3COO]- 247.170351 160.8
[M+Na-2H]- 209.131166 152.1
[M]+ 188.15595142 148.4
[M]- 188.15704858 148.4
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

No patent data available for this compound.