CID 13637723

Tert-butyl n-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate

Structural Information

Molecular Formula
C9H15BrN2O3
SMILES
CC(C)(C)OC(=O)NCC1CC(=NO1)Br
InChI
InChI=1S/C9H15BrN2O3/c1-9(2,3)14-8(13)11-5-6-4-7(10)12-15-6/h6H,4-5H2,1-3H3,(H,11,13)
InChIKey
AHAHZEKELWWMSJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

278.0266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.033876 157.3
[M+Na]+ 301.015818 167.2
[M-H]- 277.019324 162.7
[M+NH4]+ 296.060423 176.1
[M+K]+ 316.989758 158.6
[M+H-H2O]+ 261.023860 156.4
[M+HCOO]- 323.024801 175.7
[M+CH3COO]- 337.040451 194.5
[M+Na-2H]- 299.001266 163.1
[M]+ 278.02605142 177.6
[M]- 278.02714858 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe