CID 57737416

Tert-butyl (5-ethynylthiazol-2-yl)carbamate

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CC(C)(C)OC(=O)NC1=NC=C(S1)C#C
InChI
InChI=1S/C10H12N2O2S/c1-5-7-6-11-8(15-7)12-9(13)14-10(2,3)4/h1,6H,2-4H3,(H,11,12,13)
InChIKey
CNTJFZSVGGRYNF-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-ethynyl-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

224.06195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 157.6
[M+Na]+ 247.05117 167.5
[M-H]- 223.05467 159.2
[M+NH4]+ 242.09577 174.7
[M+K]+ 263.02511 165.1
[M+H-H2O]+ 207.05921 145.2
[M+HCOO]- 269.06015 169.5
[M+CH3COO]- 283.07580 194.9
[M+Na-2H]- 245.03662 157.7
[M]+ 224.06140 155.1
[M]- 224.06250 155.1
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

patents stripe