CID 37031

Brn 2846486

Structural Information

Molecular Formula

C₁₃H₁₇NO

SMILES

CC(=O)NC1CCCCC2=CC=CC=C12

InChI

InChI=1S/C13H17NO/c1-10(15)14-13-9-5-3-7-11-6-2-4-8-12(11)13/h2,4,6,8,13H,3,5,7,9H2,1H3,(H,14,15)

InChIKey

VIOBOLPVFXWEHS-UHFFFAOYSA-N

Compound name

N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 203.13101 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]+	204.13829	142.3
[M+Na]+	226.12023	146.1
[M-H]-	202.12373	147.4
[M+NH4]+	221.16483	160.9
[M+K]+	242.09417	147.7
[M+H-H2O]+	186.12827	137.4
[M+HCOO]-	248.12921	162.4
[M+CH3COO]-	262.14486	190.1
[M+Na-2H]-	224.10568	147.8
[M]+	203.13046	136.4
[M]-	203.13156	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe