CID 82415777

32485-49-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.015 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.022276 130.5
[M+Na]+ 181.004218 138.2
[M-H]- 157.007724 131.5
[M+NH4]+ 176.048823 150.9
[M+K]+ 196.978158 136.4
[M+H-H2O]+ 141.012260 124.6
[M+HCOO]- 203.013201 148.0
[M+CH3COO]- 217.028851 172.3
[M+Na-2H]- 178.989666 131.6
[M]+ 158.01445142 129.7
[M]- 158.01554858 129.7
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.