CID 1514452

Cis-2-boc-hexahydropyrrolo[3,4-c]pyrrole

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CNC[C@H]2C1
InChI
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-6-8-4-12-5-9(8)7-13/h8-9,12H,4-7H2,1-3H3/t8-,9+
InChIKey
FYUVLZRRIRGSTE-DTORHVGOSA-N
Compound name
tert-butyl (3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1902
Patents

212.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 154.0
[M+Na]+ 235.14170 159.6
[M-H]- 211.14520 153.9
[M+NH4]+ 230.18630 174.0
[M+K]+ 251.11564 158.1
[M+H-H2O]+ 195.14974 148.2
[M+HCOO]- 257.15068 168.8
[M+CH3COO]- 271.16633 182.5
[M+Na-2H]- 233.12715 154.6
[M]+ 212.15193 151.0
[M]- 212.15303 151.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe