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]+ 235.18050 156.6
[M+Na]+ 257.16244 159.5
[M-H]- 233.16594 158.8
[M+NH4]+ 252.20704 171.3
[M+K]+ 273.13638 155.8
[M+H-H2O]+ 217.17048 148.4
[M+HCOO]- 279.17142 173.5
[M+CH3COO]- 293.18707 191.4
[M+Na-2H]- 255.14789 158.7
[M]+ 234.17267 149.5
[M]- 234.17377 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