CID 2748018

2,3,6,7-tetramethylanthracene

Structural Information

Molecular Formula
C18H18
SMILES
CC1=CC2=CC3=C(C=C(C(=C3)C)C)C=C2C=C1C
InChI
InChI=1S/C18H18/c1-11-5-15-9-17-7-13(3)14(4)8-18(17)10-16(15)6-12(11)2/h5-10H,1-4H3
InChIKey
JGJWRGCEYNJFQJ-UHFFFAOYSA-N
Compound name
2,3,6,7-tetramethylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

98
Patents

234.14085 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14813 152.2
[M+Na]+ 257.13007 164.2
[M-H]- 233.13357 159.0
[M+NH4]+ 252.17467 173.5
[M+K]+ 273.10401 158.6
[M+H-H2O]+ 217.13811 145.7
[M+HCOO]- 279.13905 174.7
[M+CH3COO]- 293.15470 166.5
[M+Na-2H]- 255.11552 159.3
[M]+ 234.14030 156.0
[M]- 234.14140 156.0
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