CID 43818937

887586-28-9

Structural Information

Molecular Formula
C12H19N3O3
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=NOC(=C2)N
InChI
InChI=1S/C12H19N3O3/c1-12(2,3)17-11(16)15-6-4-5-9(15)8-7-10(13)18-14-8/h7,9H,4-6,13H2,1-3H3
InChIKey
MMKADZYBONTSHQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(5-amino-1,2-oxazol-3-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.14264 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14992 159.0
[M+Na]+ 276.13186 165.4
[M-H]- 252.13536 163.7
[M+NH4]+ 271.17646 175.2
[M+K]+ 292.10580 165.5
[M+H-H2O]+ 236.13990 152.1
[M+HCOO]- 298.14084 177.8
[M+CH3COO]- 312.15649 193.5
[M+Na-2H]- 274.11731 159.9
[M]+ 253.14209 159.0
[M]- 253.14319 159.0
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