CID 66750957

63399-74-6

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

23
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.9
[M+Na]+ 286.10497 170.1
[M+NH4]+ 281.14957 168.2
[M+K]+ 302.07891 165.7
[M-H]- 262.10847 161.3
[M+Na-2H]- 284.09042 166.4
[M]+ 263.11520 162.0
[M]- 263.11630 162.0
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