CID 78928374

2138171-98-7

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(N=C(S1)CCN)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-4-6(7(10)11)9-5(12-4)2-3-8/h2-3,8H2,1H3,(H,10,11)
InChIKey
PVLDBOTUBKXRFA-UHFFFAOYSA-N
Compound name
2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 139.7
[M+Na]+ 209.03552 148.5
[M+NH4]+ 204.08012 146.7
[M+K]+ 225.00946 144.4
[M-H]- 185.03902 139.7
[M+Na-2H]- 207.02097 142.3
[M]+ 186.04575 141.0
[M]- 186.04685 141.0
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.