CID 130620549

Rac-methyl (3r,4r)-1,4-dimethylpyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C8H15NO2
SMILES
C[C@@H]1CN(C[C@H]1C(=O)OC)C
InChI
InChI=1S/C8H15NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-7H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKey
LCTYYXKRCCSBLL-RNFRBKRXSA-N
Compound name
methyl (3S,4S)-1,4-dimethylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.1
[M+Na]+ 180.09950 141.8
[M-H]- 156.10300 136.4
[M+NH4]+ 175.14410 156.0
[M+K]+ 196.07344 141.6
[M+H-H2O]+ 140.10754 128.6
[M+HCOO]- 202.10848 155.2
[M+CH3COO]- 216.12413 177.4
[M+Na-2H]- 178.08495 136.0
[M]+ 157.10973 134.3
[M]- 157.11083 134.3
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

No patent data available for this compound.