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

826
Patents

223.1361 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14338 152.7
[M+Na]+ 246.12532 162.9
[M-H]- 222.12882 156.2
[M+NH4]+ 241.16992 173.6
[M+K]+ 262.09926 157.1
[M+H-H2O]+ 206.13336 146.7
[M+HCOO]- 268.13430 172.4
[M+CH3COO]- 282.14995 165.7
[M+Na-2H]- 244.11077 160.4
[M]+ 223.13555 153.7
[M]- 223.13665 153.7
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