CID 109958

9,10-anthracenediol, 6-ethyl-1,2,3,4-tetrahydro-

Structural Information

Molecular Formula
C16H18O2
SMILES
CCC1=CC2=C(C=C1)C(=C3CCCCC3=C2O)O
InChI
InChI=1S/C16H18O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9,17-18H,2-6H2,1H3
InChIKey
CCJCCAFGRJMKIR-UHFFFAOYSA-N
Compound name
6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

242.13068 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.137956 153.9
[M+Na]+ 265.119898 161.8
[M-H]- 241.123404 156.7
[M+NH4]+ 260.164503 172.7
[M+K]+ 281.093838 156.5
[M+H-H2O]+ 225.127940 147.9
[M+HCOO]- 287.128881 170.2
[M+CH3COO]- 301.144531 165.4
[M+Na-2H]- 263.105346 159.1
[M]+ 242.13013142 151.6
[M]- 242.13122858 151.6
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