CID 42597348

145193-96-0

Structural Information

Molecular Formula

C₁₆H₁₈N

SMILES

CCCC[N+]1=C(C2=CC=CC3=C2C1=CC=C3)C

InChI

InChI=1S/C16H18N/c1-3-4-11-17-12(2)14-9-5-7-13-8-6-10-15(17)16(13)14/h5-10H,3-4,11H2,1-2H3/q+1

InChIKey

REWNPMUUSQLHDJ-UHFFFAOYSA-N

Compound name

1-butyl-2-methylbenzo[cd]indol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 224.14392 Da
Monoisotopic Mass: 3.8
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]+	225.15120	148.6
[M+Na]+	247.13314	166.2
[M+NH4]+	242.17774	160.5
[M+K]+	263.10708	159.0
[M-H]-	223.13664	154.0
[M+Na-2H]-	245.11859	156.2
[M]+	224.14337	153.3
[M]-	224.14447	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe