CID 177794382

Tert-butyl (2-cyanothiazol-4-yl)carbamate

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
CC(C)(C)OC(=O)NC1=CSC(=N1)C#N
InChI
InChI=1S/C9H11N3O2S/c1-9(2,3)14-8(13)12-6-5-15-7(4-10)11-6/h5H,1-3H3,(H,12,13)
InChIKey
DPYDIBSGOSEYBZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-cyano-1,3-thiazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0572 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06448 156.7
[M+Na]+ 248.04642 166.3
[M-H]- 224.04992 159.5
[M+NH4]+ 243.09102 173.9
[M+K]+ 264.02036 165.0
[M+H-H2O]+ 208.05446 143.6
[M+HCOO]- 270.05540 171.0
[M+CH3COO]- 284.07105 198.9
[M+Na-2H]- 246.03187 158.1
[M]+ 225.05665 154.8
[M]- 225.05775 154.8
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.