CID 16526

2150-55-2

Structural Information

Molecular Formula
C4H6N2O2S
SMILES
C1C(N=C(S1)N)C(=O)O
InChI
InChI=1S/C4H6N2O2S/c5-4-6-2(1-9-4)3(7)8/h2H,1H2,(H2,5,6)(H,7,8)
InChIKey
VHPXSBIFWDAFMB-UHFFFAOYSA-N
Compound name
2-amino-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

32
References

403
Patents

146.015 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02228 126.9
[M+Na]+ 169.00422 135.1
[M-H]- 145.00772 127.9
[M+NH4]+ 164.04882 148.0
[M+K]+ 184.97816 133.3
[M+H-H2O]+ 129.01226 121.3
[M+HCOO]- 191.01320 144.2
[M+CH3COO]- 205.02885 169.9
[M+Na-2H]- 166.98967 128.0
[M]+ 146.01445 125.3
[M]- 146.01555 125.3
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.