CID 80503332

2138413-45-1

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(N=C(S1)C(C)N)C(=O)O
InChI
InChI=1S/C7H10N2O2S/c1-3(8)6-9-5(7(10)11)4(2)12-6/h3H,8H2,1-2H3,(H,10,11)
InChIKey
AHSFRYLJXINNKC-UHFFFAOYSA-N
Compound name
2-(1-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

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 138.7
[M+Na]+ 209.03552 147.2
[M-H]- 185.03902 140.1
[M+NH4]+ 204.08012 158.5
[M+K]+ 225.00946 145.0
[M+H-H2O]+ 169.04356 133.0
[M+HCOO]- 231.04450 155.4
[M+CH3COO]- 245.06015 180.7
[M+Na-2H]- 207.02097 137.5
[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.