CID 676412

23576-80-9

Structural Information

Molecular Formula
C5H6N2O2S
SMILES
C1=CSC(=N)N1CC(=O)O
InChI
InChI=1S/C5H6N2O2S/c6-5-7(1-2-10-5)3-4(8)9/h1-2,6H,3H2,(H,8,9)
InChIKey
UGZFQKKKGOPZMG-UHFFFAOYSA-N
Compound name
2-(2-imino-1,3-thiazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
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 129.1
[M+Na]+ 181.00422 138.2
[M-H]- 157.00772 130.9
[M+NH4]+ 176.04882 150.1
[M+K]+ 196.97816 135.7
[M+H-H2O]+ 141.01226 123.4
[M+HCOO]- 203.01320 148.3
[M+CH3COO]- 217.02885 172.3
[M+Na-2H]- 178.98967 131.6
[M]+ 158.01445 129.5
[M]- 158.01555 129.5
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