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 140.9
[M+Na]+ 210.07368 146.5
[M-H]- 186.07718 140.0
[M+NH4]+ 205.11828 159.3
[M+K]+ 226.04762 145.4
[M+H-H2O]+ 170.08172 135.2
[M+HCOO]- 232.08266 158.5
[M+CH3COO]- 246.09831 175.3
[M+Na-2H]- 208.05913 141.3
[M]+ 187.08391 138.3
[M]- 187.08501 138.3
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.