CID 3059020

75999-98-3

Structural Information

Molecular Formula
C15H23NO
SMILES
COC1=CC=C(C=C1)CCCC2CCNCC2
InChI
InChI=1S/C15H23NO/c1-17-15-7-5-13(6-8-15)3-2-4-14-9-11-16-12-10-14/h5-8,14,16H,2-4,9-12H2,1H3
InChIKey
WGVPSALPIAOFFL-UHFFFAOYSA-N
Compound name
4-[3-(4-methoxyphenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

233.17796 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 157.0
[M+Na]+ 256.16718 160.5
[M-H]- 232.17068 159.4
[M+NH4]+ 251.21178 172.4
[M+K]+ 272.14112 156.5
[M+H-H2O]+ 216.17522 148.7
[M+HCOO]- 278.17616 174.1
[M+CH3COO]- 292.19181 189.2
[M+Na-2H]- 254.15263 160.3
[M]+ 233.17741 152.5
[M]- 233.17851 152.5
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