CID 12117342

3-tert-butyl-9h-carbazole

Structural Information

Molecular Formula

C₁₆H₁₇N

SMILES

CC(C)(C)C1=CC2=C(C=C1)NC3=CC=CC=C32

InChI

InChI=1S/C16H17N/c1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15/h4-10,17H,1-3H3

InChIKey

TYXSZNGDCCGIBO-UHFFFAOYSA-N

Compound name

3-tert-butyl-9H-carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 819
Patents: 223.1361 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.14338	151.2
[M+Na]+	246.12532	166.4
[M+NH4]+	241.16992	161.4
[M+K]+	262.09926	159.8
[M-H]-	222.12882	154.2
[M+Na-2H]-	244.11077	158.6
[M]+	223.13555	154.5
[M]-	223.13665	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe