CID 97295094

2930014-49-4

Structural Information

Molecular Formula
C11H19N3O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)ON=C2CN
InChI
InChI=1S/C11H19N3O3/c1-11(2,3)16-10(15)14-5-7-8(4-12)13-17-9(7)6-14/h7,9H,4-6,12H2,1-3H3/t7-,9-/m1/s1
InChIKey
NGEGZOIWPHWOJW-VXNVDRBHSA-N
Compound name
tert-butyl (3aR,6aS)-3-(aminomethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14264 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.149916 157.2
[M+Na]+ 264.131858 164.1
[M-H]- 240.135364 159.3
[M+NH4]+ 259.176463 175.2
[M+K]+ 280.105798 164.3
[M+H-H2O]+ 224.139900 151.3
[M+HCOO]- 286.140841 174.6
[M+CH3COO]- 300.156491 192.4
[M+Na-2H]- 262.117306 159.1
[M]+ 241.14209142 158.1
[M]- 241.14318858 158.1
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.