CID 409902

Gramine methiodide

Structural Information

Molecular Formula

C₁₂H₁₇N₂

SMILES

C[N+](C)(C)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C12H17N2/c1-14(2,3)9-10-8-13-12-7-5-4-6-11(10)12/h4-8,13H,9H2,1-3H3/q+1

InChIKey

IPYNIQBMIIXLIG-UHFFFAOYSA-N

Compound name

1H-indol-3-ylmethyl(trimethyl)azanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 559
Patents: 189.13918 Da
Monoisotopic Mass: 1.8
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]+	190.14646	140.0
[M+Na]+	212.12840	148.9
[M-H]-	188.13190	144.1
[M+NH4]+	207.17300	161.4
[M+K]+	228.10234	140.0
[M+H-H2O]+	172.13644	136.8
[M+HCOO]-	234.13738	163.4
[M+CH3COO]-	248.15303	179.8
[M+Na-2H]-	210.11385	151.2
[M]+	189.13863	140.0
[M]-	189.13973	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe