CID 170912366

Tert-butyl n-{2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl}carbamate

Structural Information

Molecular Formula
C11H17ClN2O2S
SMILES
CC(C)(C)OC(=O)NCCC1=NC(=CS1)CCl
InChI
InChI=1S/C11H17ClN2O2S/c1-11(2,3)16-10(15)13-5-4-9-14-8(6-12)7-17-9/h7H,4-6H2,1-3H3,(H,13,15)
InChIKey
ZDLYMHZSSFKSFK-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.077196 164.1
[M+Na]+ 299.059138 171.9
[M-H]- 275.062644 166.8
[M+NH4]+ 294.103743 182.3
[M+K]+ 315.033078 168.2
[M+H-H2O]+ 259.067180 158.5
[M+HCOO]- 321.068121 176.7
[M+CH3COO]- 335.083771 195.8
[M+Na-2H]- 297.044586 164.6
[M]+ 276.06937142 170.3
[M]- 276.07046858 170.3
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

No patent data available for this compound.