CID 18403284

1378392-48-3

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC1CCC(N1C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO4/c1-10-7-8-12(13(16)17)15(10)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)
InChIKey
FBUFLPMVYKSOOO-UHFFFAOYSA-N
Compound name
5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

263.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.8
[M+Na]+ 286.10497 165.5
[M-H]- 262.10847 163.7
[M+NH4]+ 281.14957 175.9
[M+K]+ 302.07891 163.3
[M+H-H2O]+ 246.11301 152.6
[M+HCOO]- 308.11395 178.5
[M+CH3COO]- 322.12960 192.0
[M+Na-2H]- 284.09042 159.3
[M]+ 263.11520 159.2
[M]- 263.11630 159.2
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