CID 124705200

1932812-82-2

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 (3aS,6aR)-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

15
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 159.9
[M+Na]+ 263.17300 166.8
[M-H]- 239.17650 160.2
[M+NH4]+ 258.21760 183.0
[M+K]+ 279.14694 165.0
[M+H-H2O]+ 223.18104 155.7
[M+HCOO]- 285.18198 174.2
[M+CH3COO]- 299.19763 187.8
[M+Na-2H]- 261.15845 162.4
[M]+ 240.18323 158.4
[M]- 240.18433 158.4
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