CID 71748574

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

Structural Information

Molecular Formula
C8H11ClN2O2S
SMILES
CC(C)(C)OC(=O)NC1=CN=C(S1)Cl
InChI
InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-5-4-10-6(9)14-5/h4H,1-3H3,(H,11,12)
InChIKey
SERDINDWSVFODE-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02298 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03026 150.7
[M+Na]+ 257.01220 159.8
[M-H]- 233.01570 153.9
[M+NH4]+ 252.05680 170.6
[M+K]+ 272.98614 156.8
[M+H-H2O]+ 217.02024 145.6
[M+HCOO]- 279.02118 164.2
[M+CH3COO]- 293.03683 186.8
[M+Na-2H]- 254.99765 152.6
[M]+ 234.02243 155.8
[M]- 234.02353 155.8
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

No patent data available for this compound.