CID 2762180

Rac-(3r,4s)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC=C2)O
InChI
InChI=1S/C11H13NO3/c13-8-3-1-2-7(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
PVSZHVAUFQAERY-VHSXEESVSA-N
Compound name
(3S,4R)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

207.08954 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 145.2
[M+Na]+ 230.07876 151.3
[M-H]- 206.08226 146.5
[M+NH4]+ 225.12336 162.2
[M+K]+ 246.05270 147.5
[M+H-H2O]+ 190.08680 138.8
[M+HCOO]- 252.08774 162.4
[M+CH3COO]- 266.10339 177.2
[M+Na-2H]- 228.06421 146.3
[M]+ 207.08899 139.8
[M]- 207.09009 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