CID 29949076

1018443-32-7

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

227
Patents

212.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.159756 154.0
[M+Na]+ 235.141698 159.6
[M-H]- 211.145204 153.9
[M+NH4]+ 230.186303 174.0
[M+K]+ 251.115638 158.1
[M+H-H2O]+ 195.149740 148.2
[M+HCOO]- 257.150681 168.8
[M+CH3COO]- 271.166331 182.5
[M+Na-2H]- 233.127146 154.6
[M]+ 212.15193142 151.0
[M]- 212.15302858 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

No literature data available for this compound.

Patent stripe

patents stripe