CID 53241636

Tert-butyl n-(1,3-thiazol-4-yl)carbamate

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC(C)(C)OC(=O)NC1=CSC=N1
InChI
InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-4-13-5-9-6/h4-5H,1-3H3,(H,10,11)
InChIKey
NNPOFSOQPYVUDW-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,3-thiazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

200.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 144.6
[M+Na]+ 223.05117 152.3
[M-H]- 199.05467 147.4
[M+NH4]+ 218.09577 164.8
[M+K]+ 239.02511 151.2
[M+H-H2O]+ 183.05921 138.6
[M+HCOO]- 245.06015 162.8
[M+CH3COO]- 259.07580 181.9
[M+Na-2H]- 221.03662 147.6
[M]+ 200.06140 147.7
[M]- 200.06250 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe