CID 54592604

2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethan-1-ol

Structural Information

Molecular Formula
C14H22N2O
SMILES
C1CN(CCC1CN)CC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H22N2O/c15-10-12-6-8-16(9-7-12)11-14(17)13-4-2-1-3-5-13/h1-5,12,14,17H,6-11,15H2
InChIKey
BTHSEKNBSJQULS-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 156.6
[M+Na]+ 257.162438 159.5
[M-H]- 233.165944 158.8
[M+NH4]+ 252.207043 171.3
[M+K]+ 273.136378 155.8
[M+H-H2O]+ 217.170480 148.4
[M+HCOO]- 279.171421 173.5
[M+CH3COO]- 293.187071 191.4
[M+Na-2H]- 255.147886 158.7
[M]+ 234.17267142 149.5
[M]- 234.17376858 149.5
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