CID 61268139

[2-(cyclopentyloxy)-4-methoxyphenyl]methanamine

Structural Information

Molecular Formula
C13H19NO2
SMILES
COC1=CC(=C(C=C1)CN)OC2CCCC2
InChI
InChI=1S/C13H19NO2/c1-15-12-7-6-10(9-14)13(8-12)16-11-4-2-3-5-11/h6-8,11H,2-5,9,14H2,1H3
InChIKey
MKELBHHNHHGOFB-UHFFFAOYSA-N
Compound name
(2-cyclopentyloxy-4-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.148866 150.2
[M+Na]+ 244.130808 156.0
[M-H]- 220.134314 156.1
[M+NH4]+ 239.175413 169.8
[M+K]+ 260.104748 153.5
[M+H-H2O]+ 204.138850 143.3
[M+HCOO]- 266.139791 173.7
[M+CH3COO]- 280.155441 190.1
[M+Na-2H]- 242.116256 152.4
[M]+ 221.14104142 148.8
[M]- 221.14213858 148.8
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.