CID 65476928

(1-[(4-iodophenyl)methyl]piperidin-3-yl)methanol

Structural Information

Molecular Formula
C13H18INO
SMILES
C1CC(CN(C1)CC2=CC=C(C=C2)I)CO
InChI
InChI=1S/C13H18INO/c14-13-5-3-11(4-6-13)8-15-7-1-2-12(9-15)10-16/h3-6,12,16H,1-2,7-10H2
InChIKey
YFUANWHEUSFUDF-UHFFFAOYSA-N
Compound name
[1-[(4-iodophenyl)methyl]piperidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0433 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.05058 159.1
[M+Na]+ 354.03252 157.1
[M-H]- 330.03602 154.9
[M+NH4]+ 349.07712 170.3
[M+K]+ 370.00646 159.3
[M+H-H2O]+ 314.04056 147.7
[M+HCOO]- 376.04150 171.7
[M+CH3COO]- 390.05715 195.3
[M+Na-2H]- 352.01797 150.6
[M]+ 331.04275 152.0
[M]- 331.04385 152.0
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.