CID 20234098

893755-98-1

Structural Information

Molecular Formula
C9H13N3O
SMILES
C1CN(CCC1O)C2=NC=CC=N2
InChI
InChI=1S/C9H13N3O/c13-8-2-6-12(7-3-8)9-10-4-1-5-11-9/h1,4-5,8,13H,2-3,6-7H2
InChIKey
ZATIGSFNFLXZAS-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

179.10587 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 140.0
[M+Na]+ 202.09509 146.2
[M-H]- 178.09859 140.5
[M+NH4]+ 197.13969 154.8
[M+K]+ 218.06903 143.1
[M+H-H2O]+ 162.10313 130.9
[M+HCOO]- 224.10407 156.4
[M+CH3COO]- 238.11972 150.9
[M+Na-2H]- 200.08054 146.5
[M]+ 179.10532 134.4
[M]- 179.10642 134.4
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