CID 16641707

[1-(2-methoxyphenyl)cyclopentyl]methanamine

Structural Information

Molecular Formula
C13H19NO
SMILES
COC1=CC=CC=C1C2(CCCC2)CN
InChI
InChI=1S/C13H19NO/c1-15-12-7-3-2-6-11(12)13(10-14)8-4-5-9-13/h2-3,6-7H,4-5,8-10,14H2,1H3
InChIKey
SDHQESURORPKBB-UHFFFAOYSA-N
Compound name
[1-(2-methoxyphenyl)cyclopentyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 147.2
[M+Na]+ 228.13589 153.2
[M-H]- 204.13939 153.1
[M+NH4]+ 223.18049 169.2
[M+K]+ 244.10983 150.3
[M+H-H2O]+ 188.14393 141.0
[M+HCOO]- 250.14487 170.5
[M+CH3COO]- 264.16052 186.5
[M+Na-2H]- 226.12134 151.1
[M]+ 205.14612 144.2
[M]- 205.14722 144.2
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.