CID 2762183

1392211-71-0

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=C(C=C2)O
InChI
InChI=1S/C11H13NO3/c13-8-3-1-7(2-4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
InChIKey
IJVDKAOETNQRCC-VHSXEESVSA-N
Compound name
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

207.08954 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 145.2
[M+Na]+ 230.078758 151.3
[M-H]- 206.082264 146.5
[M+NH4]+ 225.123363 162.2
[M+K]+ 246.052698 147.5
[M+H-H2O]+ 190.086800 138.8
[M+HCOO]- 252.087741 162.4
[M+CH3COO]- 266.103391 177.2
[M+Na-2H]- 228.064206 146.3
[M]+ 207.08899142 139.8
[M]- 207.09008858 139.8
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