CID 22135079

2-{[(tert-butoxy)carbonyl](1,3-thiazol-4-yl)amino}acetic acid

Structural Information

Molecular Formula
C10H14N2O4S
SMILES
CC(C)(C)OC(=O)N(CC(=O)O)C1=CSC=N1
InChI
InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12(4-8(13)14)7-5-17-6-11-7/h5-6H,4H2,1-3H3,(H,13,14)
InChIKey
OVPLIFOKTMXGNP-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-4-yl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

258.0674 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07468 158.7
[M+Na]+ 281.05662 164.7
[M-H]- 257.06012 161.2
[M+NH4]+ 276.10122 176.0
[M+K]+ 297.03056 164.6
[M+H-H2O]+ 241.06466 152.3
[M+HCOO]- 303.06560 174.8
[M+CH3COO]- 317.08125 192.9
[M+Na-2H]- 279.04207 159.2
[M]+ 258.06685 163.3
[M]- 258.06795 163.3
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.