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]+ 259.074676 158.7
[M+Na]+ 281.056618 164.7
[M-H]- 257.060124 161.2
[M+NH4]+ 276.101223 176.0
[M+K]+ 297.030558 164.6
[M+H-H2O]+ 241.064660 152.3
[M+HCOO]- 303.065601 174.8
[M+CH3COO]- 317.081251 192.9
[M+Na-2H]- 279.042066 159.2
[M]+ 258.06685142 163.3
[M]- 258.06794858 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

patents stripe