CID 587218

2-(1-hydroxy-2-methylpropyl)-3-methoxypyrazine

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)C(C1=NC=CN=C1OC)O
InChI
InChI=1S/C9H14N2O2/c1-6(2)8(12)7-9(13-3)11-5-4-10-7/h4-6,8,12H,1-3H3
InChIKey
RZXMLQNGLFUMLB-UHFFFAOYSA-N
Compound name
1-(3-methoxypyrazin-2-yl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

182.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.112806 139.9
[M+Na]+ 205.094748 147.3
[M-H]- 181.098254 139.6
[M+NH4]+ 200.139353 156.6
[M+K]+ 221.068688 146.2
[M+H-H2O]+ 165.102790 132.7
[M+HCOO]- 227.103731 158.8
[M+CH3COO]- 241.119381 181.0
[M+Na-2H]- 203.080196 144.5
[M]+ 182.10498142 140.9
[M]- 182.10607858 140.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe