CID 9816234

133846-05-6

Structural Information

Molecular Formula

C₁₅H₁₈N₂O

SMILES

CC#CCN(C)CC1=CC2=C(N1C)C=CC(=C2)O

InChI

InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3

InChIKey

VJSXYTMXFSBYDX-UHFFFAOYSA-N

Compound name

2-[[but-2-ynyl(methyl)amino]methyl]-1-methylindol-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 242.1419 Da
Monoisotopic Mass: 2.1
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]+	243.14918	159.1
[M+Na]+	265.13112	170.4
[M-H]-	241.13462	160.6
[M+NH4]+	260.17572	176.1
[M+K]+	281.10506	164.3
[M+H-H2O]+	225.13916	145.9
[M+HCOO]-	287.14010	176.6
[M+CH3COO]-	301.15575	204.3
[M+Na-2H]-	263.11657	161.4
[M]+	242.14135	156.9
[M]-	242.14245	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe