CID 5147927

1,4,5,8-tetramethylanthracene

Structural Information

Molecular Formula
C18H18
SMILES
CC1=C2C=C3C(=CC=C(C3=CC2=C(C=C1)C)C)C
InChI
InChI=1S/C18H18/c1-11-5-6-12(2)16-10-18-14(4)8-7-13(3)17(18)9-15(11)16/h5-10H,1-4H3
InChIKey
OCFNRIXVFFNDKR-UHFFFAOYSA-N
Compound name
1,4,5,8-tetramethylanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

234.14085 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.148126 152.2
[M+Na]+ 257.130068 164.2
[M-H]- 233.133574 159.0
[M+NH4]+ 252.174673 173.5
[M+K]+ 273.104008 158.6
[M+H-H2O]+ 217.138110 145.7
[M+HCOO]- 279.139051 174.7
[M+CH3COO]- 293.154701 166.5
[M+Na-2H]- 255.115516 159.3
[M]+ 234.14030142 156.0
[M]- 234.14139858 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