CID 53415334

1116339-72-0

Structural Information

Molecular Formula
C10H15N3O2
SMILES
C1CN(CCC1O)C2=NC=C(C=N2)CO
InChI
InChI=1S/C10H15N3O2/c14-7-8-5-11-10(12-6-8)13-3-1-9(15)2-4-13/h5-6,9,14-15H,1-4,7H2
InChIKey
XTMYQZNNRUBFCJ-UHFFFAOYSA-N
Compound name
1-[5-(hydroxymethyl)pyrimidin-2-yl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 148.3
[M+Na]+ 232.10564 154.5
[M-H]- 208.10914 147.7
[M+NH4]+ 227.15024 161.4
[M+K]+ 248.07958 150.8
[M+H-H2O]+ 192.11368 139.4
[M+HCOO]- 254.11462 163.0
[M+CH3COO]- 268.13027 180.6
[M+Na-2H]- 230.09109 153.0
[M]+ 209.11587 143.1
[M]- 209.11697 143.1
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.