CID 74758

1947-00-8

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)

InChIKey

RXQDBVWDABAAHL-UHFFFAOYSA-N

Compound name

6-(phenylmethoxycarbonylamino)hexanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 773
Patents: 265.1314 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.13868	162.7
[M+Na]+	288.12062	171.3
[M+NH4]+	283.16522	168.0
[M+K]+	304.09456	166.2
[M-H]-	264.12412	162.5
[M+Na-2H]-	286.10607	166.3
[M]+	265.13085	163.4
[M]-	265.13195	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe