CID 11160066

(2s,4s)-4-phenoxypyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C11H13NO3
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)OC2=CC=CC=C2
InChI
InChI=1S/C11H13NO3/c13-11(14)10-6-9(7-12-10)15-8-4-2-1-3-5-8/h1-5,9-10,12H,6-7H2,(H,13,14)/t9-,10-/m0/s1
InChIKey
RWSHAZYNUOFZMI-UWVGGRQHSA-N
Compound name
(2S,4S)-4-phenoxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

207.08954 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.096816 144.8
[M+Na]+ 230.078758 150.4
[M-H]- 206.082264 147.1
[M+NH4]+ 225.123363 162.2
[M+K]+ 246.052698 147.4
[M+H-H2O]+ 190.086800 137.9
[M+HCOO]- 252.087741 163.6
[M+CH3COO]- 266.103391 178.4
[M+Na-2H]- 228.064206 147.1
[M]+ 207.08899142 140.8
[M]- 207.09008858 140.8
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