CID 16641701

1208550-10-0

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

COC1=C(C=C(C=C1)C2(CC2)CN)OC

InChI

InChI=1S/C12H17NO2/c1-14-10-4-3-9(7-11(10)15-2)12(8-13)5-6-12/h3-4,7H,5-6,8,13H2,1-2H3

InChIKey

HOXPTBMBXRLTTR-UHFFFAOYSA-N

Compound name

[1-(3,4-dimethoxyphenyl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 207.12593 Da
Monoisotopic Mass: 1.1
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	147.0
[M+Na]+	230.11515	160.5
[M+NH4]+	225.15975	157.4
[M+K]+	246.08909	153.8
[M-H]-	206.11865	157.8
[M+Na-2H]-	228.10060	158.0
[M]+	207.12538	153.3
[M]-	207.12648	153.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe