CID 117274275

Tert-butyl n-(3-cyano-1,2-oxazol-5-yl)carbamate

Structural Information

Molecular Formula
C9H11N3O3
SMILES
CC(C)(C)OC(=O)NC1=CC(=NO1)C#N
InChI
InChI=1S/C9H11N3O3/c1-9(2,3)14-8(13)11-7-4-6(5-10)12-15-7/h4H,1-3H3,(H,11,13)
InChIKey
UIEPNKUSEUVEAK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-cyano-1,2-oxazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.08733 146.2
[M+Na]+ 232.06927 155.4
[M-H]- 208.07277 148.6
[M+NH4]+ 227.11387 162.0
[M+K]+ 248.04321 155.8
[M+H-H2O]+ 192.07731 132.8
[M+HCOO]- 254.07825 164.8
[M+CH3COO]- 268.09390 197.5
[M+Na-2H]- 230.05472 151.5
[M]+ 209.07950 143.9
[M]- 209.08060 143.9
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.