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

62
Patents

200.06195 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 144.6
[M+Na]+ 223.05117 152.3
[M-H]- 199.05467 147.4
[M+NH4]+ 218.09577 164.8
[M+K]+ 239.02511 151.2
[M+H-H2O]+ 183.05921 138.6
[M+HCOO]- 245.06015 162.8
[M+CH3COO]- 259.07580 181.9
[M+Na-2H]- 221.03662 147.6
[M]+ 200.06140 147.7
[M]- 200.06250 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