CID 119032026

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

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

5
Patents

200.06195 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 143.9
[M+Na]+ 223.05117 152.3
[M-H]- 199.05467 146.5
[M+NH4]+ 218.09577 163.9
[M+K]+ 239.02511 150.7
[M+H-H2O]+ 183.05921 138.2
[M+HCOO]- 245.06015 161.4
[M+CH3COO]- 259.07580 183.7
[M+Na-2H]- 221.03662 145.3
[M]+ 200.06140 146.5
[M]- 200.06250 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe