CID 178199984

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

Structural Information

Molecular Formula
C10H15ClN2O2S
SMILES
CC(C)(C)OC(=O)NCC1=CSC(=N1)CCl
InChI
InChI=1S/C10H15ClN2O2S/c1-10(2,3)15-9(14)12-5-7-6-16-8(4-11)13-7/h6H,4-5H2,1-3H3,(H,12,14)
InChIKey
HTYATNUBCIGTHR-UHFFFAOYSA-N
Compound name
tert-butyl N-[[2-(chloromethyl)-1,3-thiazol-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0543 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.061576 159.7
[M+Na]+ 285.043518 167.9
[M-H]- 261.047024 162.5
[M+NH4]+ 280.088123 178.4
[M+K]+ 301.017458 164.4
[M+H-H2O]+ 245.051560 154.2
[M+HCOO]- 307.052501 172.5
[M+CH3COO]- 321.068151 192.8
[M+Na-2H]- 283.028966 160.6
[M]+ 262.05375142 165.5
[M]- 262.05484858 165.5
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.