CID 43133118

[1-(3-aminobenzoyl)piperidin-4-yl]methanol

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCC1CO)C(=O)C2=CC(=CC=C2)N
InChI
InChI=1S/C13H18N2O2/c14-12-3-1-2-11(8-12)13(17)15-6-4-10(9-16)5-7-15/h1-3,8,10,16H,4-7,9,14H2
InChIKey
PEFYGILHXBSXNJ-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.6
[M+Na]+ 257.126048 159.1
[M-H]- 233.129554 157.4
[M+NH4]+ 252.170653 169.5
[M+K]+ 273.099988 155.7
[M+H-H2O]+ 217.134090 146.7
[M+HCOO]- 279.135031 172.2
[M+CH3COO]- 293.150681 190.3
[M+Na-2H]- 255.111496 156.5
[M]+ 234.13628142 148.2
[M]- 234.13737858 148.2
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

No patent data available for this compound.