CID 44828596

886362-65-8

Structural Information

Molecular Formula
C14H17NO4
SMILES
C1CN(CC1CC(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H17NO4/c16-13(17)8-12-6-7-15(9-12)14(18)19-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKey
IUYVTLSEDKQGQY-UHFFFAOYSA-N
Compound name
2-(1-phenylmethoxycarbonylpyrrolidin-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.11575 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 160.3
[M+Na]+ 286.10497 165.0
[M-H]- 262.10847 163.7
[M+NH4]+ 281.14957 176.1
[M+K]+ 302.07891 162.9
[M+H-H2O]+ 246.11301 152.7
[M+HCOO]- 308.11395 179.0
[M+CH3COO]- 322.12960 190.8
[M+Na-2H]- 284.09042 160.4
[M]+ 263.11520 159.3
[M]- 263.11630 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

No literature data available for this compound.

Patent stripe

patents stripe