CID 3613666

13808-59-8

Structural Information

Molecular Formula

C₇H₁₀N₂OS

SMILES

CCC(=O)NC1=NC(=CS1)C

InChI

InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)

InChIKey

AIOZNYOAFODHNA-UHFFFAOYSA-N

Compound name

N-(4-methyl-1,3-thiazol-2-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 170.05139 Da
Monoisotopic Mass: 1.3
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]+	171.058666	135.0
[M+Na]+	193.040608	143.7
[M-H]-	169.044114	138.0
[M+NH4]+	188.085213	156.5
[M+K]+	209.014548	141.8
[M+H-H2O]+	153.048650	128.9
[M+HCOO]-	215.049591	154.7
[M+CH3COO]-	229.065241	179.0
[M+Na-2H]-	191.026056	136.9
[M]+	170.05084142	137.3
[M]-	170.05193858	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe