CID 33166

2-isopropyl-3-methoxypyrazine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(C)C1=NC=CN=C1OC
InChI
InChI=1S/C8H12N2O/c1-6(2)7-8(11-3)10-5-4-9-7/h4-6H,1-3H3
InChIKey
NTOPKICPEQUPPH-UHFFFAOYSA-N
Compound name
2-methoxy-3-propan-2-ylpyrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

56
References

2698
Patents

152.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.6
[M+Na]+ 175.08418 144.9
[M+NH4]+ 170.12878 139.7
[M+K]+ 191.05812 139.1
[M-H]- 151.08768 132.7
[M+Na-2H]- 173.06963 138.8
[M]+ 152.09441 133.8
[M]- 152.09551 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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