CID 22411062

162651-10-7

Structural Information

Molecular Formula

C₈H₁₀N₂O₂S

SMILES

CC1=C(SC(=N1)NC2CC2)C(=O)O

InChI

InChI=1S/C8H10N2O2S/c1-4-6(7(11)12)13-8(9-4)10-5-2-3-5/h5H,2-3H2,1H3,(H,9,10)(H,11,12)

InChIKey

MSFNCZKXXFXTHP-UHFFFAOYSA-N

Compound name

2-(cyclopropylamino)-4-methyl-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 198.0463 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]+	199.053576	136.6
[M+Na]+	221.035518	146.7
[M-H]-	197.039024	142.3
[M+NH4]+	216.080123	151.4
[M+K]+	237.009458	142.4
[M+H-H2O]+	181.043560	130.5
[M+HCOO]-	243.044501	155.3
[M+CH3COO]-	257.060151	185.2
[M+Na-2H]-	219.020966	138.1
[M]+	198.04575142	140.5
[M]-	198.04684858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe