CID 6890

Gramine

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

CN(C)CC1=CNC2=CC=CC=C21

InChI

InChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3

InChIKey

OCDGBSUVYYVKQZ-UHFFFAOYSA-N

Compound name

1-(1H-indol-3-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 126
References: 2853
Patents: 174.11569 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]+	175.122966	136.7
[M+Na]+	197.104908	145.5
[M-H]-	173.108414	140.4
[M+NH4]+	192.149513	158.5
[M+K]+	213.078848	142.5
[M+H-H2O]+	157.112950	130.1
[M+HCOO]-	219.113891	161.5
[M+CH3COO]-	233.129541	183.9
[M+Na-2H]-	195.090356	144.0
[M]+	174.11514142	137.9
[M]-	174.11623858	137.9

Literature stripe

literature stripe

Patent stripe

patents stripe