CID 16777847

926246-95-9

Structural Information

Molecular Formula
C9H10N2O3S
SMILES
C1CC1C(=O)NC2=NC(=CS2)CC(=O)O
InChI
InChI=1S/C9H10N2O3S/c12-7(13)3-6-4-15-9(10-6)11-8(14)5-1-2-5/h4-5H,1-3H2,(H,12,13)(H,10,11,14)
InChIKey
KJGBIOSXIXCOGE-UHFFFAOYSA-N
Compound name
2-[2-(cyclopropanecarbonylamino)-1,3-thiazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04121 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04849 151.2
[M+Na]+ 249.03043 160.6
[M+NH4]+ 244.07503 158.3
[M+K]+ 265.00437 158.2
[M-H]- 225.03393 158.6
[M+Na-2H]- 247.01588 157.0
[M]+ 226.04066 155.7
[M]- 226.04176 155.7
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.