CID 43133091

{1-[(3-aminophenyl)methyl]piperidin-4-yl}methanol

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CN(CCC1CO)CC2=CC(=CC=C2)N
InChI
InChI=1S/C13H20N2O/c14-13-3-1-2-12(8-13)9-15-6-4-11(10-16)5-7-15/h1-3,8,11,16H,4-7,9-10,14H2
InChIKey
SQCGHKYCWVXBPL-UHFFFAOYSA-N
Compound name
[1-[(3-aminophenyl)methyl]piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.15756 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 152.1
[M+Na]+ 243.14678 156.6
[M-H]- 219.15028 154.8
[M+NH4]+ 238.19138 167.8
[M+K]+ 259.12072 152.6
[M+H-H2O]+ 203.15482 144.2
[M+HCOO]- 265.15576 170.3
[M+CH3COO]- 279.17141 188.7
[M+Na-2H]- 241.13223 155.2
[M]+ 220.15701 145.7
[M]- 220.15811 145.7
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