CID 11286886

4-thiazoleacetic acid, 2-(formylamino)-

Structural Information

Molecular Formula
C6H6N2O3S
SMILES
C1=C(N=C(S1)NC=O)CC(=O)O
InChI
InChI=1S/C6H6N2O3S/c9-3-7-6-8-4(2-12-6)1-5(10)11/h2-3H,1H2,(H,10,11)(H,7,8,9)
InChIKey
MXBRIEOXXKWWCE-UHFFFAOYSA-N
Compound name
2-(2-formamido-1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

186.00992 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01720 136.0
[M+Na]+ 208.99914 144.4
[M-H]- 185.00264 137.6
[M+NH4]+ 204.04374 155.6
[M+K]+ 224.97308 142.2
[M+H-H2O]+ 169.00718 129.9
[M+HCOO]- 231.00812 155.1
[M+CH3COO]- 245.02377 177.4
[M+Na-2H]- 206.98459 138.2
[M]+ 186.00937 138.2
[M]- 186.01047 138.2
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