CID 62748658

(2-(4-methylpiperazin-1-yl)pyrimidin-4-yl)methanol

Structural Information

Molecular Formula
C10H16N4O
SMILES
CN1CCN(CC1)C2=NC=CC(=N2)CO
InChI
InChI=1S/C10H16N4O/c1-13-4-6-14(7-5-13)10-11-3-2-9(8-15)12-10/h2-3,15H,4-8H2,1H3
InChIKey
GHXHYZOYODIPKC-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

208.13242 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 150.2
[M+Na]+ 231.12164 156.9
[M-H]- 207.12514 149.5
[M+NH4]+ 226.16624 162.7
[M+K]+ 247.09558 153.3
[M+H-H2O]+ 191.12968 140.3
[M+HCOO]- 253.13062 164.8
[M+CH3COO]- 267.14627 184.0
[M+Na-2H]- 229.10709 155.2
[M]+ 208.13187 145.9
[M]- 208.13297 145.9
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

patents stripe