CID 11858898

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

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC(C)(C)OC(=O)NC1=NC=CS1
InChI
InChI=1S/C8H12N2O2S/c1-8(2,3)12-7(11)10-6-9-4-5-13-6/h4-5H,1-3H3,(H,9,10,11)
InChIKey
NCJXQSNROJRSSL-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

200.06195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 144.6
[M+Na]+ 223.051168 152.3
[M-H]- 199.054674 147.4
[M+NH4]+ 218.095773 164.8
[M+K]+ 239.025108 151.2
[M+H-H2O]+ 183.059210 138.6
[M+HCOO]- 245.060151 162.8
[M+CH3COO]- 259.075801 181.9
[M+Na-2H]- 221.036616 147.6
[M]+ 200.06140142 147.7
[M]- 200.06249858 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