CID 3462524

2,3,3-trimethyl-1-propyl-3h-indolium iodide

Structural Information

Molecular Formula

C₁₄H₂₀N

SMILES

CCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C

InChI

InChI=1S/C14H20N/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15/h6-9H,5,10H2,1-4H3/q+1

InChIKey

SUHRLOMMYZFKSJ-UHFFFAOYSA-N

Compound name

2,3,3-trimethyl-1-propylindol-1-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 202.15958 Da
Monoisotopic Mass: 3.0
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]+	203.16686	146.9
[M+Na]+	225.14880	157.4
[M-H]-	201.15230	151.2
[M+NH4]+	220.19340	170.4
[M+K]+	241.12274	148.3
[M+H-H2O]+	185.15684	144.1
[M+HCOO]-	247.15778	169.0
[M+CH3COO]-	261.17343	182.9
[M+Na-2H]-	223.13425	154.4
[M]+	202.15903	148.9
[M]-	202.16013	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe