CID 50989219

[1-(3-methoxyphenyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C13H19NO
SMILES
COC1=CC=CC(=C1)C2(CCCC2)CN
InChI
InChI=1S/C13H19NO/c1-15-12-6-4-5-11(9-12)13(10-14)7-2-3-8-13/h4-6,9H,2-3,7-8,10,14H2,1H3
InChIKey
BGSIHODNNABVJG-UHFFFAOYSA-N
Compound name
[1-(3-methoxyphenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

205.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 148.1
[M+Na]+ 228.13589 158.9
[M+NH4]+ 223.18049 158.8
[M+K]+ 244.10983 151.7
[M-H]- 204.13939 152.6
[M+Na-2H]- 226.12134 156.5
[M]+ 205.14612 151.0
[M]- 205.14722 151.0
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

patents stripe