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

25
Patents

208.13242 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 150.2
[M+Na]+ 231.121638 156.9
[M-H]- 207.125144 149.5
[M+NH4]+ 226.166243 162.7
[M+K]+ 247.095578 153.3
[M+H-H2O]+ 191.129680 140.3
[M+HCOO]- 253.130621 164.8
[M+CH3COO]- 267.146271 184.0
[M+Na-2H]- 229.107086 155.2
[M]+ 208.13187142 145.9
[M]- 208.13296858 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