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

25
Patents

226.13174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 155.1
[M+Na]+ 249.120958 161.8
[M-H]- 225.124464 155.4
[M+NH4]+ 244.165563 174.7
[M+K]+ 265.094898 160.2
[M+H-H2O]+ 209.129000 149.8
[M+HCOO]- 271.129941 170.3
[M+CH3COO]- 285.145591 185.0
[M+Na-2H]- 247.106406 155.3
[M]+ 226.13119142 153.2
[M]- 226.13228858 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