CID 119032026

1803585-37-6

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CC(C)(C1=CSC(=N1)N)C(=O)OC

InChI

InChI=1S/C8H12N2O2S/c1-8(2,6(11)12-3)5-4-13-7(9)10-5/h4H,1-3H3,(H2,9,10)

InChIKey

VPDPRKSBSOSNEO-UHFFFAOYSA-N

Compound name

methyl 2-(2-amino-1,3-thiazol-4-yl)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 200.06195 Da
Monoisotopic Mass: 1.4
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]+	201.069226	143.9
[M+Na]+	223.051168	152.3
[M-H]-	199.054674	146.5
[M+NH4]+	218.095773	163.9
[M+K]+	239.025108	150.7
[M+H-H2O]+	183.059210	138.2
[M+HCOO]-	245.060151	161.4
[M+CH3COO]-	259.075801	183.7
[M+Na-2H]-	221.036616	145.3
[M]+	200.06140142	146.5
[M]-	200.06249858	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe