CID 73872

9-butyl-9h-carbazole

Structural Information

Molecular Formula
C16H17N
SMILES
CCCCN1C2=CC=CC=C2C3=CC=CC=C31
InChI
InChI=1S/C16H17N/c1-2-3-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11H,2-3,12H2,1H3
InChIKey
SQFONLULGFXJAA-UHFFFAOYSA-N
Compound name
9-butylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

502
Patents

223.1361 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 150.8
[M+Na]+ 246.12532 161.0
[M-H]- 222.12882 155.3
[M+NH4]+ 241.16992 172.2
[M+K]+ 262.09926 155.5
[M+H-H2O]+ 206.13336 143.7
[M+HCOO]- 268.13430 173.7
[M+CH3COO]- 282.14995 164.3
[M+Na-2H]- 244.11077 158.2
[M]+ 223.13555 154.1
[M]- 223.13665 154.1
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