CID 29949076

370880-09-4

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CNC2
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-5-4-8-6-12-7-9(8)13/h8-9,12H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKey
OIKZNKIPPFFTKA-BDAKNGLRSA-N
Compound name
tert-butyl (3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

212.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 150.4
[M+Na]+ 235.14170 156.9
[M+NH4]+ 230.18630 157.0
[M+K]+ 251.11564 157.1
[M-H]- 211.14520 148.2
[M+Na-2H]- 233.12715 150.6
[M]+ 212.15193 150.2
[M]- 212.15303 150.2
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