CID 66750957

(r)-1-((benzyloxy)carbonyl)-2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C14H17NO4
SMILES
C[C@@]1(CCCN1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO4/c1-14(12(16)17)8-5-9-15(14)13(18)19-10-11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)/t14-/m1/s1
InChIKey
RPUQYVRDBWUEOR-CQSZACIVSA-N
Compound name
(2R)-2-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.123026 160.0
[M+Na]+ 286.104968 165.7
[M-H]- 262.108474 163.8
[M+NH4]+ 281.149573 177.8
[M+K]+ 302.078908 163.8
[M+H-H2O]+ 246.113010 153.3
[M+HCOO]- 308.113951 178.8
[M+CH3COO]- 322.129601 190.3
[M+Na-2H]- 284.090416 161.4
[M]+ 263.11520142 159.3
[M]- 263.11629858 159.3
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