CID 10535362

Methyl 2-methylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C7H13NO2
SMILES
C[C@]1(CCCN1)C(=O)OC
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10-2)4-3-5-8-7/h8H,3-5H2,1-2H3/t7-/m0/s1
InChIKey
CCNBDZFBJCGDIV-ZETCQYMHSA-N
Compound name
methyl (2S)-2-methylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

274
Patents

143.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.1
[M+Na]+ 166.08386 137.7
[M-H]- 142.08736 131.8
[M+NH4]+ 161.12846 154.1
[M+K]+ 182.05780 137.1
[M+H-H2O]+ 126.09190 126.2
[M+HCOO]- 188.09284 151.0
[M+CH3COO]- 202.10849 169.0
[M+Na-2H]- 164.06931 135.5
[M]+ 143.09409 128.5
[M]- 143.09519 128.5
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