CID 124706300

2059914-94-0

Structural Information

Molecular Formula
C8H15NO2
SMILES
C[C@H]1CNC[C@]1(C)C(=O)OC
InChI
InChI=1S/C8H15NO2/c1-6-4-9-5-8(6,2)7(10)11-3/h6,9H,4-5H2,1-3H3/t6-,8-/m0/s1
InChIKey
VXQVHJJNBMOBOI-XPUUQOCRSA-N
Compound name
methyl (3R,4R)-3,4-dimethylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 134.5
[M+Na]+ 180.099498 141.7
[M-H]- 156.103004 135.4
[M+NH4]+ 175.144103 157.3
[M+K]+ 196.073438 140.8
[M+H-H2O]+ 140.107540 129.9
[M+HCOO]- 202.108481 154.1
[M+CH3COO]- 216.124131 173.1
[M+Na-2H]- 178.084946 137.8
[M]+ 157.10973142 132.6
[M]- 157.11082858 132.6
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.