CID 21682858

2402839-49-8

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CCCN1C)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-7(6(9)10)4-3-5-8(7)2/h3-5H2,1-2H3,(H,9,10)
InChIKey
BWNGEDLBTNTBMD-UHFFFAOYSA-N
Compound name
1,2-dimethylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

143.09464 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 131.2
[M+Na]+ 166.08386 140.2
[M+NH4]+ 161.12846 140.0
[M+K]+ 182.05780 136.0
[M-H]- 142.08736 130.5
[M+Na-2H]- 164.06931 135.6
[M]+ 143.09409 132.1
[M]- 143.09519 132.1
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