CID 217766

39617-49-7

Structural Information

Molecular Formula
C18H21NO
SMILES
COC1=CC=C(C=C1)C2(CCC(C2)N)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-20-17-9-7-15(8-10-17)18(12-11-16(19)13-18)14-5-3-2-4-6-14/h2-10,16H,11-13,19H2,1H3
InChIKey
GNOLVCJEUONCSP-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-3-phenylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

267.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 164.8
[M+Na]+ 290.15154 177.9
[M+NH4]+ 285.19614 175.9
[M+K]+ 306.12548 169.3
[M-H]- 266.15504 172.0
[M+Na-2H]- 288.13699 175.8
[M]+ 267.16177 168.9
[M]- 267.16287 168.9
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