CID 529062

Methyl 1-methylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C7H13NO2
SMILES
CN1CCCC1C(=O)OC
InChI
InChI=1S/C7H13NO2/c1-8-5-3-4-6(8)7(9)10-2/h6H,3-5H2,1-2H3
InChIKey
WBXUFOSSZLFNPQ-UHFFFAOYSA-N
Compound name
methyl 1-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

143.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.4
[M+Na]+ 166.08386 137.5
[M-H]- 142.08736 132.5
[M+NH4]+ 161.12846 152.4
[M+K]+ 182.05780 137.6
[M+H-H2O]+ 126.09190 124.7
[M+HCOO]- 188.09284 151.8
[M+CH3COO]- 202.10849 173.2
[M+Na-2H]- 164.06931 133.4
[M]+ 143.09409 129.7
[M]- 143.09519 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe