CID 16217868

9-(2-ethylhexyl)carbazole

Structural Information

Molecular Formula
C20H25N
SMILES
CCCCC(CC)CN1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C20H25N/c1-3-5-10-16(4-2)15-21-19-13-8-6-11-17(19)18-12-7-9-14-20(18)21/h6-9,11-14,16H,3-5,10,15H2,1-2H3
InChIKey
SAXNQWFLHXTRDI-UHFFFAOYSA-N
Compound name
9-(2-ethylhexyl)carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

246
Patents

279.1987 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.205976 170.6
[M+Na]+ 302.187918 178.5
[M-H]- 278.191424 174.3
[M+NH4]+ 297.232523 189.5
[M+K]+ 318.161858 172.5
[M+H-H2O]+ 262.195960 162.7
[M+HCOO]- 324.196901 190.9
[M+CH3COO]- 338.212551 182.0
[M+Na-2H]- 300.173366 174.3
[M]+ 279.19815142 174.5
[M]- 279.19924858 174.5
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