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
(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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 144.9
[M+Na]+ 230.11515 158.9
[M+NH4]+ 225.15975 154.0
[M+K]+ 246.08909 154.2
[M-H]- 206.11865 155.7
[M+Na-2H]- 228.10060 154.1
[M]+ 207.12538 151.1
[M]- 207.12648 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.