CID 45115929

2255321-86-7

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCO[C@@H]1C[C@H](NC1)C(=O)O
InChI
InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1
InChIKey
UGNGLHKEESUVLW-RITPCOANSA-N
Compound name
(2S,4R)-4-ethoxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

159.08954 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 134.6
[M+Na]+ 182.078758 140.6
[M-H]- 158.082264 133.8
[M+NH4]+ 177.123363 154.3
[M+K]+ 198.052698 139.4
[M+H-H2O]+ 142.086800 129.0
[M+HCOO]- 204.087741 153.1
[M+CH3COO]- 218.103391 170.7
[M+Na-2H]- 180.064206 136.6
[M]+ 159.08899142 131.6
[M]- 159.09008858 131.6
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