CID 56654407

1251003-89-0

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CNC(=O)[C@H]2C1
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-5-7-4-12-9(14)8(7)6-13/h7-8H,4-6H2,1-3H3,(H,12,14)/t7-,8+/m1/s1
InChIKey
BQFMMOCNINXPIC-SFYZADRCSA-N
Compound name
tert-butyl (3aR,6aR)-3-oxo-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

226.13174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 152.3
[M+Na]+ 249.12096 158.7
[M+NH4]+ 244.16556 158.1
[M+K]+ 265.09490 159.7
[M-H]- 225.12446 149.5
[M+Na-2H]- 247.10641 151.8
[M]+ 226.13119 151.9
[M]- 226.13229 151.9
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