CID 124705200

2035072-26-3

Structural Information

Molecular Formula
C13H24N2O2
SMILES
C[C@]12CNC[C@]1(CN(C2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H24N2O2/c1-11(2,3)17-10(16)15-8-12(4)6-14-7-13(12,5)9-15/h14H,6-9H2,1-5H3/t12-,13+
InChIKey
NJFBBPHTKSLXPH-BETUJISGSA-N
Compound name
tert-butyl (3aR,6aS)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 157.3
[M+Na]+ 263.17300 163.6
[M+NH4]+ 258.21760 166.5
[M+K]+ 279.14694 160.1
[M-H]- 239.17650 155.0
[M+Na-2H]- 261.15845 160.3
[M]+ 240.18323 157.5
[M]- 240.18433 157.5
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