CID 68290692

1215121-86-0

Structural Information

Molecular Formula
C9H13BrN2O3
SMILES
CC(C)(C)OC(=O)NC1=NOC(=C1)CBr
InChI
InChI=1S/C9H13BrN2O3/c1-9(2,3)14-8(13)11-7-4-6(5-10)15-12-7/h4H,5H2,1-3H3,(H,11,12,13)
InChIKey
WYRJHJQYIGUFSO-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(bromomethyl)-1,2-oxazol-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.01096 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.01824 155.3
[M+Na]+ 299.00018 166.2
[M-H]- 275.00368 161.1
[M+NH4]+ 294.04478 174.3
[M+K]+ 314.97412 157.5
[M+H-H2O]+ 259.00822 154.5
[M+HCOO]- 321.00916 175.2
[M+CH3COO]- 335.02481 194.1
[M+Na-2H]- 296.98563 162.1
[M]+ 276.01041 177.0
[M]- 276.01151 177.0
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