CID 129970040

2731013-76-4

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

C1CC2=C(C1N)C3=C(C=C2)OCC3

InChI

InChI=1S/C11H13NO/c12-9-3-1-7-2-4-10-8(11(7)9)5-6-13-10/h2,4,9H,1,3,5-6,12H2

InChIKey

CVYMQJCVLWAMMZ-UHFFFAOYSA-N

Compound name

2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.09972 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]+	176.106996	135.5
[M+Na]+	198.088938	143.8
[M-H]-	174.092444	141.3
[M+NH4]+	193.133543	159.8
[M+K]+	214.062878	141.5
[M+H-H2O]+	158.096980	131.1
[M+HCOO]-	220.097921	157.5
[M+CH3COO]-	234.113571	149.6
[M+Na-2H]-	196.074386	140.5
[M]+	175.09917142	133.6
[M]-	175.10026858	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.