CID 67376140

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+/m0/s1
InChIKey
BQFMMOCNINXPIC-JGVFFNPUSA-N
Compound name
tert-butyl (3aS,6aS)-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

23
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 155.1
[M+Na]+ 249.12096 161.8
[M-H]- 225.12446 155.4
[M+NH4]+ 244.16556 174.7
[M+K]+ 265.09490 160.2
[M+H-H2O]+ 209.12900 149.8
[M+HCOO]- 271.12994 170.3
[M+CH3COO]- 285.14559 185.0
[M+Na-2H]- 247.10641 155.3
[M]+ 226.13119 153.2
[M]- 226.13229 153.2
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