CID 5200238

117702-38-2

Structural Information

Molecular Formula
C14H22N2O
SMILES
COC1=CC=C(C=C1)CN2CCC(CC2)CN
InChI
InChI=1S/C14H22N2O/c1-17-14-4-2-13(3-5-14)11-16-8-6-12(10-15)7-9-16/h2-5,12H,6-11,15H2,1H3
InChIKey
ZHJBOQLHOJOBAN-UHFFFAOYSA-N
Compound name
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.17322 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 156.3
[M+Na]+ 257.16244 160.8
[M-H]- 233.16594 160.1
[M+NH4]+ 252.20704 172.0
[M+K]+ 273.13638 157.4
[M+H-H2O]+ 217.17048 147.8
[M+HCOO]- 279.17142 175.6
[M+CH3COO]- 293.18707 194.2
[M+Na-2H]- 255.14789 159.3
[M]+ 234.17267 152.0
[M]- 234.17377 152.0
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