CID 137945946

Tert-butyl n-(3-bromo-5-cyclopropyl-1,2-oxazol-4-yl)carbamate

Structural Information

Molecular Formula
C11H15BrN2O3
SMILES
CC(C)(C)OC(=O)NC1=C(ON=C1Br)C2CC2
InChI
InChI=1S/C11H15BrN2O3/c1-11(2,3)16-10(15)13-7-8(6-4-5-6)17-14-9(7)12/h6H,4-5H2,1-3H3,(H,13,15)
InChIKey
QFKPQBZHYZEUTC-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-5-cyclopropyl-1,2-oxazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.03388 163.2
[M+Na]+ 325.01582 176.0
[M-H]- 301.01932 172.8
[M+NH4]+ 320.06042 177.0
[M+K]+ 340.98976 165.5
[M+H-H2O]+ 285.02386 162.0
[M+HCOO]- 347.02480 182.6
[M+CH3COO]- 361.04045 202.0
[M+Na-2H]- 323.00127 168.6
[M]+ 302.02605 186.3
[M]- 302.02715 186.3
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.