CID 12923429

14165-90-3

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=C(C=C2CCNCCC2=C1)OC

InChI

InChI=1S/C12H17NO2/c1-14-11-7-9-3-5-13-6-4-10(9)8-12(11)15-2/h7-8,13H,3-6H2,1-2H3

InChIKey

MHKDOURMQPZPAG-UHFFFAOYSA-N

Compound name

7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
Patents: 207.12593 Da
Monoisotopic Mass: 1.7
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]+	208.13321	142.8
[M+Na]+	230.11515	153.2
[M+NH4]+	225.15975	150.6
[M+K]+	246.08909	148.4
[M-H]-	206.11865	144.3
[M+Na-2H]-	228.10060	148.1
[M]+	207.12538	144.7
[M]-	207.12648	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe