CID 53268

75463-38-6

Structural Information

Molecular Formula

C₁₄H₁₇NO

SMILES

CC(=O)NC1CCC2=C1C=C3CCCC3=C2

InChI

InChI=1S/C14H17NO/c1-9(16)15-14-6-5-12-7-10-3-2-4-11(10)8-13(12)14/h7-8,14H,2-6H2,1H3,(H,15,16)

InChIKey

YWJFSPNAXUXYJA-UHFFFAOYSA-N

Compound name

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 215.13101 Da
Monoisotopic Mass: 2.3
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]+	216.138286	149.9
[M+Na]+	238.120228	156.6
[M-H]-	214.123734	155.1
[M+NH4]+	233.164833	173.9
[M+K]+	254.094168	153.0
[M+H-H2O]+	198.128270	144.7
[M+HCOO]-	260.129211	171.5
[M+CH3COO]-	274.144861	162.6
[M+Na-2H]-	236.105676	152.2
[M]+	215.13046142	147.8
[M]-	215.13155858	147.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe