CID 69223765

1-({[(benzyloxy)carbonyl]amino}methyl)cyclopentane-1-carboxylic acid

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1CCC(C1)(CNC(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c17-13(18)15(8-4-5-9-15)11-16-14(19)20-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,16,19)(H,17,18)
InChIKey
PJZVXXYXWXMRSS-UHFFFAOYSA-N
Compound name
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

277.1314 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.138676 164.9
[M+Na]+ 300.120618 168.3
[M-H]- 276.124124 169.4
[M+NH4]+ 295.165223 182.8
[M+K]+ 316.094558 166.2
[M+H-H2O]+ 260.128660 158.3
[M+HCOO]- 322.129601 185.6
[M+CH3COO]- 336.145251 194.5
[M+Na-2H]- 298.106066 166.9
[M]+ 277.13085142 162.8
[M]- 277.13194858 162.8
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