CID 14236634

2361608-85-5

Structural Information

Molecular Formula
C8H13NO4
SMILES
COC(=O)[C@@H]1C[C@@H](CN1)CC(=O)O
InChI
InChI=1S/C8H13NO4/c1-13-8(12)6-2-5(4-9-6)3-7(10)11/h5-6,9H,2-4H2,1H3,(H,10,11)/t5-,6+/m1/s1
InChIKey
PPERIBGXNZHSQU-RITPCOANSA-N
Compound name
2-[(3R,5S)-5-methoxycarbonylpyrrolidin-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 141.6
[M+Na]+ 210.07368 148.4
[M+NH4]+ 205.11828 146.8
[M+K]+ 226.04762 147.8
[M-H]- 186.07718 138.8
[M+Na-2H]- 208.05913 142.1
[M]+ 187.08391 141.1
[M]- 187.08501 141.1
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.