CID 34665

2-amino-4-thiazoleacetic acid

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
C1=C(N=C(S1)N)CC(=O)O
InChI
InChI=1S/C5H6N2O2S/c6-5-7-3(2-10-5)1-4(8)9/h2H,1H2,(H2,6,7)(H,8,9)
InChIKey
DYCLHZPOADTVKK-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1228
Patents

158.015 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.02228 129.6
[M+Na]+ 181.00422 138.5
[M-H]- 157.00772 130.9
[M+NH4]+ 176.04882 150.4
[M+K]+ 196.97816 136.2
[M+H-H2O]+ 141.01226 123.9
[M+HCOO]- 203.01320 148.1
[M+CH3COO]- 217.02885 172.5
[M+Na-2H]- 178.98967 131.2
[M]+ 158.01445 129.8
[M]- 158.01555 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe