CID 87800

2-tert-butylanthracene

Structural Information

Molecular Formula
C18H18
SMILES
CC(C)(C)C1=CC2=CC3=CC=CC=C3C=C2C=C1
InChI
InChI=1S/C18H18/c1-18(2,3)17-9-8-15-10-13-6-4-5-7-14(13)11-16(15)12-17/h4-12H,1-3H3
InChIKey
WBPXZSIKOVBSAS-UHFFFAOYSA-N
Compound name
2-tert-butylanthracene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

6788
Patents

234.14085 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14813 154.1
[M+Na]+ 257.13007 163.9
[M-H]- 233.13357 160.1
[M+NH4]+ 252.17467 174.6
[M+K]+ 273.10401 158.5
[M+H-H2O]+ 217.13811 147.6
[M+HCOO]- 279.13905 175.1
[M+CH3COO]- 293.15470 167.4
[M+Na-2H]- 255.11552 163.9
[M]+ 234.14030 156.2
[M]- 234.14140 156.2
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