CID 300286

59433-90-8

Structural Information

Molecular Formula

C₁₁H₁₁NO

SMILES

C1CC2=CC=CC=C2C3C1C(=O)N3

InChI

InChI=1S/C11H11NO/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)12-11/h1-4,9-10H,5-6H2,(H,12,13)

InChIKey

RVCIXYMGIRZTFA-UHFFFAOYSA-N

Compound name

2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 173.08406 Da
Monoisotopic Mass: 1.2
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]+	174.09134	131.1
[M+Na]+	196.07328	138.5
[M-H]-	172.07678	133.7
[M+NH4]+	191.11788	145.3
[M+K]+	212.04722	137.6
[M+H-H2O]+	156.08132	120.2
[M+HCOO]-	218.08226	148.0
[M+CH3COO]-	232.09791	143.4
[M+Na-2H]-	194.05873	139.1
[M]+	173.08351	136.5
[M]-	173.08461	136.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe