CID 53393345

Tert-butyl n-(5-formyl-1,3-thiazol-2-yl)carbamate

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
CC(C)(C)OC(=O)NC1=NC=C(S1)C=O
InChI
InChI=1S/C9H12N2O3S/c1-9(2,3)14-8(13)11-7-10-4-6(5-12)15-7/h4-5H,1-3H3,(H,10,11,13)
InChIKey
LKFCHUSAPKBABQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-formyl-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

228.05687 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 150.9
[M+Na]+ 251.04609 159.1
[M-H]- 227.04959 153.9
[M+NH4]+ 246.09069 170.0
[M+K]+ 267.02003 157.6
[M+H-H2O]+ 211.05413 144.9
[M+HCOO]- 273.05507 169.2
[M+CH3COO]- 287.07072 187.2
[M+Na-2H]- 249.03154 153.0
[M]+ 228.05632 155.4
[M]- 228.05742 155.4
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