CID 14383527

51490-17-6

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CCC2=C(CC1)C=C(C=C2)N

InChI

InChI=1S/C11H15N/c12-11-7-6-9-4-2-1-3-5-10(9)8-11/h6-8H,1-5,12H2

InChIKey

ZIQAFVONTMJKGG-UHFFFAOYSA-N

Compound name

6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 161.12045 Da
Monoisotopic Mass: 3.2
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]+	162.12773	132.4
[M+Na]+	184.10967	142.8
[M+NH4]+	179.15427	141.9
[M+K]+	200.08361	137.2
[M-H]-	160.11317	136.2
[M+Na-2H]-	182.09512	139.3
[M]+	161.11990	135.0
[M]-	161.12100	135.0

Literature stripe

literature stripe

Patent stripe

patents stripe