CID 4721304

1050419-89-0

Structural Information

Molecular Formula
C12H17NO2
SMILES
COC1=CC(=C(C=C1)CNC2CC2)OC
InChI
InChI=1S/C12H17NO2/c1-14-11-6-3-9(12(7-11)15-2)8-13-10-4-5-10/h3,6-7,10,13H,4-5,8H2,1-2H3
InChIKey
LWUFIKVIDUKIGU-UHFFFAOYSA-N
Compound name
N-[(2,4-dimethoxyphenyl)methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 143.7
[M+Na]+ 230.11515 152.6
[M-H]- 206.11865 151.4
[M+NH4]+ 225.15975 158.0
[M+K]+ 246.08909 149.8
[M+H-H2O]+ 190.12319 136.7
[M+HCOO]- 252.12413 169.2
[M+CH3COO]- 266.13978 192.9
[M+Na-2H]- 228.10060 149.8
[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.