CID 333237

56610-11-8

Structural Information

Molecular Formula
C15H20N2O5
SMILES
CCCC(C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C15H20N2O5/c1-2-6-12(14(20)16-9-13(18)19)17-15(21)22-10-11-7-4-3-5-8-11/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKey
DSGKPVVFBQQVSE-UHFFFAOYSA-N
Compound name
2-[2-(phenylmethoxycarbonylamino)pentanoylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14448 172.3
[M+Na]+ 331.12642 174.5
[M-H]- 307.12992 173.5
[M+NH4]+ 326.17102 184.9
[M+K]+ 347.10036 173.5
[M+H-H2O]+ 291.13446 164.4
[M+HCOO]- 353.13540 193.1
[M+CH3COO]- 367.15105 206.4
[M+Na-2H]- 329.11187 172.7
[M]+ 308.13665 173.2
[M]- 308.13775 173.2
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

No patent data available for this compound.