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]+ 222.14887 150.2
[M+Na]+ 244.13081 156.0
[M-H]- 220.13431 156.1
[M+NH4]+ 239.17541 169.8
[M+K]+ 260.10475 153.5
[M+H-H2O]+ 204.13885 143.3
[M+HCOO]- 266.13979 173.7
[M+CH3COO]- 280.15544 190.1
[M+Na-2H]- 242.11626 152.4
[M]+ 221.14104 148.8
[M]- 221.14214 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.