CID 53432624

Tert-butyl n-(1,3-thiazol-5-yl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

200.06195 Da
Monoisotopic Mass

1.9
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

No literature data available for this compound.

Patent stripe

patents stripe