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]+ 263.06158 159.7
[M+Na]+ 285.04352 167.9
[M-H]- 261.04702 162.5
[M+NH4]+ 280.08812 178.4
[M+K]+ 301.01746 164.4
[M+H-H2O]+ 245.05156 154.2
[M+HCOO]- 307.05250 172.5
[M+CH3COO]- 321.06815 192.8
[M+Na-2H]- 283.02897 160.6
[M]+ 262.05375 165.5
[M]- 262.05485 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.