CID 106439

2-methoxy-6-(2-methylpropyl)pyrazine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CC(C)CC1=CN=CC(=N1)OC
InChI
InChI=1S/C9H14N2O/c1-7(2)4-8-5-10-6-9(11-8)12-3/h5-7H,4H2,1-3H3
InChIKey
LXCCBDKCWSQJKW-UHFFFAOYSA-N
Compound name
2-methoxy-6-(2-methylpropyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

166.11061 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.0
[M+Na]+ 189.09983 144.2
[M-H]- 165.10333 137.0
[M+NH4]+ 184.14443 154.2
[M+K]+ 205.07377 143.0
[M+H-H2O]+ 149.10787 128.7
[M+HCOO]- 211.10881 157.2
[M+CH3COO]- 225.12446 180.7
[M+Na-2H]- 187.08528 142.4
[M]+ 166.11006 138.1
[M]- 166.11116 138.1
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