CID 157275993

Tert-butyln-[2-oxo-2-(1,3-thiazol-5-yl)ethyl]carbamate

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC(C)(C)OC(=O)NCC(=O)C1=CN=CS1
InChI
InChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)12-4-7(13)8-5-11-6-16-8/h5-6H,4H2,1-3H3,(H,12,14)
InChIKey
AZCLIGZZHHUUQH-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-oxo-2-(1,3-thiazol-5-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

242.07251 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 156.0
[M+Na]+ 265.06173 162.5
[M-H]- 241.06523 158.5
[M+NH4]+ 260.10633 174.1
[M+K]+ 281.03567 161.3
[M+H-H2O]+ 225.06977 149.6
[M+HCOO]- 287.07071 172.9
[M+CH3COO]- 301.08636 189.9
[M+Na-2H]- 263.04718 157.2
[M]+ 242.07196 159.8
[M]- 242.07306 159.8
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