CID 122163617

(2s,4r)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide

Structural Information

Molecular Formula
C12H14N2O3
SMILES
C1[C@H](CN([C@@H]1C(=O)N)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C12H14N2O3/c13-11(16)10-6-9(15)7-14(10)12(17)8-4-2-1-3-5-8/h1-5,9-10,15H,6-7H2,(H2,13,16)/t9-,10+/m1/s1
InChIKey
QYKCILOZAVMTLT-ZJUUUORDSA-N
Compound name
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10045 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.107726 152.0
[M+Na]+ 257.089668 157.7
[M-H]- 233.093174 155.6
[M+NH4]+ 252.134273 168.7
[M+K]+ 273.063608 155.0
[M+H-H2O]+ 217.097710 144.8
[M+HCOO]- 279.098651 171.6
[M+CH3COO]- 293.114301 189.0
[M+Na-2H]- 255.075116 151.9
[M]+ 234.09990142 147.6
[M]- 234.10099858 147.6
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.