CID 3058663

75463-37-5

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

C1CC2=CC3=C(C=C2C1)C(CC3)NC=O

InChI

InChI=1S/C13H15NO/c15-8-14-13-5-4-11-6-9-2-1-3-10(9)7-12(11)13/h6-8,13H,1-5H2,(H,14,15)

InChIKey

RQUCZYSEJCQSQN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.11537 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]+	202.122646	143.9
[M+Na]+	224.104588	151.4
[M-H]-	200.108094	149.2
[M+NH4]+	219.149193	168.5
[M+K]+	240.078528	147.4
[M+H-H2O]+	184.112630	138.7
[M+HCOO]-	246.113571	166.9
[M+CH3COO]-	260.129221	157.2
[M+Na-2H]-	222.090036	148.0
[M]+	201.11482142	142.2
[M]-	201.11591858	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.