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]+ 210.123696 148.3
[M+Na]+ 232.105638 154.5
[M-H]- 208.109144 147.7
[M+NH4]+ 227.150243 161.4
[M+K]+ 248.079578 150.8
[M+H-H2O]+ 192.113680 139.4
[M+HCOO]- 254.114621 163.0
[M+CH3COO]- 268.130271 180.6
[M+Na-2H]- 230.091086 153.0
[M]+ 209.11587142 143.1
[M]- 209.11696858 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.