CID 62699790

138030-61-2

Structural Information

Molecular Formula
C11H17N3O
SMILES
C1CN(CCC1CO)CC2=NC=CC=N2
InChI
InChI=1S/C11H17N3O/c15-9-10-2-6-14(7-3-10)8-11-12-4-1-5-13-11/h1,4-5,10,15H,2-3,6-9H2
InChIKey
KXZJQZJDUGZCFO-UHFFFAOYSA-N
Compound name
[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 148.8
[M+Na]+ 230.12638 154.1
[M-H]- 206.12988 148.9
[M+NH4]+ 225.17098 162.4
[M+K]+ 246.10032 150.5
[M+H-H2O]+ 190.13442 139.3
[M+HCOO]- 252.13536 164.5
[M+CH3COO]- 266.15101 182.8
[M+Na-2H]- 228.11183 154.2
[M]+ 207.13661 143.9
[M]- 207.13771 143.9
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.