CID 22018479

35881-16-4

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

COC1=CC2=C(CC(CCC2)N)C=C1

InChI

InChI=1S/C12H17NO/c1-14-12-6-5-10-7-11(13)4-2-3-9(10)8-12/h5-6,8,11H,2-4,7,13H2,1H3

InChIKey

SYNPRKAQIYGCET-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.13101 Da
Monoisotopic Mass: 2.0
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]+	192.138286	138.8
[M+Na]+	214.120228	143.7
[M-H]-	190.123734	143.8
[M+NH4]+	209.164833	157.9
[M+K]+	230.094168	145.5
[M+H-H2O]+	174.128270	134.1
[M+HCOO]-	236.129211	159.4
[M+CH3COO]-	250.144861	188.4
[M+Na-2H]-	212.105676	144.3
[M]+	191.13046142	133.3
[M]-	191.13155858	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe