CID 21922544

162686-54-6

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CN(CCC1(CN)CO)CC2=CC=CC=C2
InChI
InChI=1S/C14H22N2O/c15-11-14(12-17)6-8-16(9-7-14)10-13-4-2-1-3-5-13/h1-5,17H,6-12,15H2
InChIKey
HYQLLESNZAWFCJ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)-1-benzylpiperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

234.17322 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 156.5
[M+Na]+ 257.16244 160.7
[M-H]- 233.16594 159.0
[M+NH4]+ 252.20704 173.3
[M+K]+ 273.13638 156.7
[M+H-H2O]+ 217.17048 148.8
[M+HCOO]- 279.17142 174.4
[M+CH3COO]- 293.18707 190.1
[M+Na-2H]- 255.14789 160.9
[M]+ 234.17267 150.4
[M]- 234.17377 150.4
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