CID 65335395

1427378-93-5

Structural Information

Molecular Formula

C₁₄H₁₆BrN

SMILES

CC1(CCC2=C(C1)C3=C(N2)C=CC(=C3)Br)C

InChI

InChI=1S/C14H16BrN/c1-14(2)6-5-13-11(8-14)10-7-9(15)3-4-12(10)16-13/h3-4,7,16H,5-6,8H2,1-2H3

InChIKey

DRDOXCHFYRVURO-UHFFFAOYSA-N

Compound name

6-bromo-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 277.0466 Da
Monoisotopic Mass: 4.6
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]+	278.05388	158.4
[M+Na]+	300.03582	171.7
[M-H]-	276.03932	164.4
[M+NH4]+	295.08042	182.6
[M+K]+	316.00976	158.6
[M+H-H2O]+	260.04386	159.1
[M+HCOO]-	322.04480	175.4
[M+CH3COO]-	336.06045	172.7
[M+Na-2H]-	298.02127	165.3
[M]+	277.04605	175.9
[M]-	277.04715	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe