CID 80011

1,4,5,8,9,10-hexahydroanthracene

Structural Information

Molecular Formula
C14H16
SMILES
C1C=CCC2=C1CC3=C(C2)CC=CC3
InChI
InChI=1S/C14H16/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-4H,5-10H2
InChIKey
LNRAWXJRDXDHJN-UHFFFAOYSA-N
Compound name
1,4,5,8,9,10-hexahydroanthracene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

184.1252 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.132476 138.5
[M+Na]+ 207.114418 144.4
[M-H]- 183.117924 142.9
[M+NH4]+ 202.159023 160.1
[M+K]+ 223.088358 140.1
[M+H-H2O]+ 167.122460 131.9
[M+HCOO]- 229.123401 156.8
[M+CH3COO]- 243.139051 150.8
[M+Na-2H]- 205.099866 146.6
[M]+ 184.12465142 133.5
[M]- 184.12574858 133.5
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