CID 15432003

227619-53-6

Structural Information

Molecular Formula
C10H15BrN2O3
SMILES
CC(C)(C)OC(=O)N1CC2C(C1)ON=C2Br
InChI
InChI=1S/C10H15BrN2O3/c1-10(2,3)15-9(14)13-4-6-7(5-13)16-12-8(6)11/h6-7H,4-5H2,1-3H3
InChIKey
PBHFWAFWEMOQAC-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.0266 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.03388 162.6
[M+Na]+ 313.01582 174.2
[M-H]- 289.01932 168.1
[M+NH4]+ 308.06042 183.0
[M+K]+ 328.98976 166.3
[M+H-H2O]+ 273.02386 163.3
[M+HCOO]- 335.02480 178.0
[M+CH3COO]- 349.04045 194.6
[M+Na-2H]- 311.00127 166.3
[M]+ 290.02605 183.2
[M]- 290.02715 183.2
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

No patent data available for this compound.