CID 3041186

53581-71-8

Structural Information

Molecular Formula

C₁₂H₁₇NO₂

SMILES

CC1=CC(=C(C=C1OC)[C@@H]2C[C@H]2N)OC

InChI

InChI=1S/C12H17NO2/c1-7-4-12(15-3)9(6-11(7)14-2)8-5-10(8)13/h4,6,8,10H,5,13H2,1-3H3/t8-,10+/m0/s1

InChIKey

HYVPPECPQRBJEQ-WCBMZHEXSA-N

Compound name

trans-(1R,2S)-2-(2,5-dimethoxy-4-methylphenyl)cyclopropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 207.12593 Da
Monoisotopic Mass: 1.5
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]+	208.133206	143.2
[M+Na]+	230.115148	153.9
[M-H]-	206.118654	151.2
[M+NH4]+	225.159753	157.9
[M+K]+	246.089088	150.6
[M+H-H2O]+	190.123190	136.8
[M+HCOO]-	252.124131	167.9
[M+CH3COO]-	266.139781	194.6
[M+Na-2H]-	228.100596	147.0
[M]+	207.12538142	148.1
[M]-	207.12647858	148.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.