CID 79198542

(2-(2-methoxypropan-2-yl)pyrimidin-4-yl)methanol

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C1=NC=CC(=N1)CO)OC
InChI
InChI=1S/C9H14N2O2/c1-9(2,13-3)8-10-5-4-7(6-12)11-8/h4-5,12H,6H2,1-3H3
InChIKey
HHSRLGQRMKBEKQ-UHFFFAOYSA-N
Compound name
[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 140.6
[M+Na]+ 205.09475 148.9
[M-H]- 181.09825 140.4
[M+NH4]+ 200.13935 157.5
[M+K]+ 221.06869 147.3
[M+H-H2O]+ 165.10279 133.9
[M+HCOO]- 227.10373 159.9
[M+CH3COO]- 241.11938 179.6
[M+Na-2H]- 203.08020 148.3
[M]+ 182.10498 142.4
[M]- 182.10608 142.4
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.