CID 47890

Dodecahydro-4,7-methano-2,3,8-methenocyclopent[a]indene

Structural Information

Molecular Formula
C14H18
SMILES
C1CC2CC1C3C2C4C5C3C6C4C6C5
InChI
InChI=1S/C14H18/c1-2-6-3-5(1)9-10(6)12-7-4-8-13(11(7)9)14(8)12/h5-14H,1-4H2
InChIKey
YBNSWVHWZLAYSU-UHFFFAOYSA-N
Compound name
hexacyclo[9.2.1.02,10.03,8.04,6.05,9]tetradecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

9
Patents

186.14085 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14813 131.9
[M+Na]+ 209.13007 140.9
[M-H]- 185.13357 137.6
[M+NH4]+ 204.17467 161.3
[M+K]+ 225.10401 134.8
[M+H-H2O]+ 169.13811 132.0
[M+HCOO]- 231.13905 145.9
[M+CH3COO]- 245.15470 144.9
[M+Na-2H]- 207.11552 130.2
[M]+ 186.14030 138.2
[M]- 186.14140 138.2
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