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

15
Patents

234.17322 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.180496 156.5
[M+Na]+ 257.162438 160.7
[M-H]- 233.165944 159.0
[M+NH4]+ 252.207043 173.3
[M+K]+ 273.136378 156.7
[M+H-H2O]+ 217.170480 148.8
[M+HCOO]- 279.171421 174.4
[M+CH3COO]- 293.187071 190.1
[M+Na-2H]- 255.147886 160.9
[M]+ 234.17267142 150.4
[M]- 234.17376858 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