CID 528308

2-methoxy-3-propylpyrazine

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCCC1=NC=CN=C1OC
InChI
InChI=1S/C8H12N2O/c1-3-4-7-8(11-2)10-6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKey
WPWBOFKCKQCZIS-UHFFFAOYSA-N
Compound name
2-methoxy-3-propylpyrazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

26
Patents

152.09496 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.2
[M+Na]+ 175.084178 140.1
[M-H]- 151.087684 132.2
[M+NH4]+ 170.128783 150.0
[M+K]+ 191.058118 138.7
[M+H-H2O]+ 135.092220 124.0
[M+HCOO]- 197.093161 153.7
[M+CH3COO]- 211.108811 176.9
[M+Na-2H]- 173.069626 139.4
[M]+ 152.09441142 133.6
[M]- 152.09550858 133.6
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