CID 66181

1,2,3,4,5,6,7,8-octahydroanthracene

Structural Information

Molecular Formula
C14H18
SMILES
C1CCC2=CC3=C(CCCC3)C=C2C1
InChI
InChI=1S/C14H18/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h9-10H,1-8H2
InChIKey
LFAYMJXHGYUQNV-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8-octahydroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

352
Patents

186.14085 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.14813 140.0
[M+Na]+ 209.13007 144.8
[M-H]- 185.13357 144.0
[M+NH4]+ 204.17467 161.5
[M+K]+ 225.10401 140.8
[M+H-H2O]+ 169.13811 133.4
[M+HCOO]- 231.13905 156.8
[M+CH3COO]- 245.15470 151.8
[M+Na-2H]- 207.11552 147.0
[M]+ 186.14030 133.6
[M]- 186.14140 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe