CID 82611079

1-(3,5-dimethoxyphenyl)cyclopropanemethanamine

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC(=CC(=C1)C2(CC2)CN)OC
InChI
InChI=1S/C12H17NO2/c1-14-10-5-9(6-11(7-10)15-2)12(8-13)3-4-12/h5-7H,3-4,8,13H2,1-2H3
InChIKey
HYYVFWWHGKHNTQ-UHFFFAOYSA-N
Compound name
[1-(3,5-dimethoxyphenyl)cyclopropyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 144.2
[M+Na]+ 230.11515 153.9
[M-H]- 206.11865 151.8
[M+NH4]+ 225.15975 160.2
[M+K]+ 246.08909 151.7
[M+H-H2O]+ 190.12319 138.5
[M+HCOO]- 252.12413 168.7
[M+CH3COO]- 266.13978 191.8
[M+Na-2H]- 228.10060 150.4
[M]+ 207.12538 148.7
[M]- 207.12648 148.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.