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
1
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]+ 243.13796 153.9
[M+Na]+ 265.11990 161.8
[M-H]- 241.12340 156.7
[M+NH4]+ 260.16450 172.7
[M+K]+ 281.09384 156.5
[M+H-H2O]+ 225.12794 147.9
[M+HCOO]- 287.12888 170.2
[M+CH3COO]- 301.14453 165.4
[M+Na-2H]- 263.10535 159.1
[M]+ 242.13013 151.6
[M]- 242.13123 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