CID 101457

75446-60-5

Structural Information

Molecular Formula

C₁₃H₁₁NO₃

SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)O

InChI

InChI=1S/C13H11NO3/c15-12(16)8-14-13(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,17)(H,15,16)

InChIKey

YQHPVWRRSORYIV-UHFFFAOYSA-N

Compound name

2-(naphthalene-1-carbonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 136
Patents: 229.0739 Da
Monoisotopic Mass: 2.4
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]+	230.081176	148.0
[M+Na]+	252.063118	154.6
[M-H]-	228.066624	151.2
[M+NH4]+	247.107723	165.8
[M+K]+	268.037058	151.6
[M+H-H2O]+	212.071160	141.6
[M+HCOO]-	274.072101	169.7
[M+CH3COO]-	288.087751	189.9
[M+Na-2H]-	250.048566	154.2
[M]+	229.07335142	147.5
[M]-	229.07444858	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe