CID 638858

183562-37-0

Structural Information

Molecular Formula

C₁₀H₁₅NO₂S

SMILES

CC(C)CC1=CSC(=C1C(=O)OC)N

InChI

InChI=1S/C10H15NO2S/c1-6(2)4-7-5-14-9(11)8(7)10(12)13-3/h5-6H,4,11H2,1-3H3

InChIKey

XVYAEAXXDWJBDM-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-(2-methylpropyl)thiophene-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 213.08235 Da
Monoisotopic Mass: 3.3
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]+	214.08963	149.1
[M+Na]+	236.07157	157.6
[M+NH4]+	231.11617	156.7
[M+K]+	252.04551	153.1
[M-H]-	212.07507	150.0
[M+Na-2H]-	234.05702	151.7
[M]+	213.08180	150.7
[M]-	213.08290	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe