CID 20121155

1-[(3-aminophenyl)methyl]piperidin-4-ol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CCC1O)CC2=CC(=CC=C2)N
InChI
InChI=1S/C12H18N2O/c13-11-3-1-2-10(8-11)9-14-6-4-12(15)5-7-14/h1-3,8,12,15H,4-7,9,13H2
InChIKey
URVMBDCFIVHKBG-UHFFFAOYSA-N
Compound name
1-[(3-aminophenyl)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 147.7
[M+Na]+ 229.13112 152.7
[M-H]- 205.13462 150.5
[M+NH4]+ 224.17572 163.9
[M+K]+ 245.10506 148.9
[M+H-H2O]+ 189.13916 140.0
[M+HCOO]- 251.14010 166.2
[M+CH3COO]- 265.15575 185.6
[M+Na-2H]- 227.11657 151.3
[M]+ 206.14135 140.9
[M]- 206.14245 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe