CID 98853

46874-41-3

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

CC(=O)NC1=CC=CC2=C1C=CC=C2OC(=O)C

InChI

InChI=1S/C14H13NO3/c1-9(16)15-13-7-3-6-12-11(13)5-4-8-14(12)18-10(2)17/h3-8H,1-2H3,(H,15,16)

InChIKey

RSZZTTIBNGXAEI-UHFFFAOYSA-N

Compound name

(5-acetamidonaphthalen-1-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.08954 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]+	244.09682	152.4
[M+Na]+	266.07876	160.0
[M-H]-	242.08226	157.2
[M+NH4]+	261.12336	170.7
[M+K]+	282.05270	157.7
[M+H-H2O]+	226.08680	145.7
[M+HCOO]-	288.08774	175.3
[M+CH3COO]-	302.10339	195.9
[M+Na-2H]-	264.06421	157.8
[M]+	243.08899	154.4
[M]-	243.09009	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe