CID 55267169

2913242-90-5

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=CSC(=N1)CC(C(=O)O)N
InChI
InChI=1S/C7H10N2O2S/c1-4-3-12-6(9-4)2-5(8)7(10)11/h3,5H,2,8H2,1H3,(H,10,11)
InChIKey
IPAWCHKAOLUINX-UHFFFAOYSA-N
Compound name
2-amino-3-(4-methyl-1,3-thiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.1
[M+Na]+ 209.03552 146.7
[M-H]- 185.03902 140.1
[M+NH4]+ 204.08012 158.6
[M+K]+ 225.00946 144.5
[M+H-H2O]+ 169.04356 133.1
[M+HCOO]- 231.04450 155.9
[M+CH3COO]- 245.06015 179.5
[M+Na-2H]- 207.02097 138.6
[M]+ 186.04575 139.4
[M]- 186.04685 139.4
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

No patent data available for this compound.