CID 5103410

4,4-dimethyl-pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CNCC1C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-7(2)4-8-3-5(7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKey
FWOHOVIXBANHEB-UHFFFAOYSA-N
Compound name
4,4-dimethylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

143.09464 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.9
[M+Na]+ 166.08386 138.0
[M-H]- 142.08736 130.5
[M+NH4]+ 161.12846 153.4
[M+K]+ 182.05780 136.4
[M+H-H2O]+ 126.09190 126.6
[M+HCOO]- 188.09284 149.2
[M+CH3COO]- 202.10849 168.2
[M+Na-2H]- 164.06931 134.1
[M]+ 143.09409 126.8
[M]- 143.09519 126.8
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

patents stripe