CID 3934542

19293-60-8

Structural Information

Molecular Formula

C₁₀H₁₂N₂

SMILES

CN1C=C(C2=CC=CC=C21)CN

InChI

InChI=1S/C10H12N2/c1-12-7-8(6-11)9-4-2-3-5-10(9)12/h2-5,7H,6,11H2,1H3

InChIKey

NOFZMDGMQKRLIV-UHFFFAOYSA-N

Compound name

(1-methylindol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 160.10005 Da
Monoisotopic Mass: 0.9
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]+	161.10733	131.7
[M+Na]+	183.08927	142.3
[M-H]-	159.09277	135.4
[M+NH4]+	178.13387	154.3
[M+K]+	199.06321	138.7
[M+H-H2O]+	143.09731	125.6
[M+HCOO]-	205.09825	157.3
[M+CH3COO]-	219.11390	146.4
[M+Na-2H]-	181.07472	139.1
[M]+	160.09950	132.6
[M]-	160.10060	132.6

Literature stripe

literature stripe

Patent stripe

patents stripe