CID 111647

2-methoxy-3-(4-methylpentyl)pyrazine

Structural Information

Molecular Formula
C11H18N2O
SMILES
CC(C)CCCC1=NC=CN=C1OC
InChI
InChI=1S/C11H18N2O/c1-9(2)5-4-6-10-11(14-3)13-8-7-12-10/h7-9H,4-6H2,1-3H3
InChIKey
HQNJHPJFKOLFHC-UHFFFAOYSA-N
Compound name
2-methoxy-3-(4-methylpentyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

102
Patents

194.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.14918 145.3
[M+Na]+ 217.13112 152.6
[M-H]- 193.13462 145.9
[M+NH4]+ 212.17572 162.3
[M+K]+ 233.10506 150.9
[M+H-H2O]+ 177.13916 137.5
[M+HCOO]- 239.14010 165.8
[M+CH3COO]- 253.15575 186.7
[M+Na-2H]- 215.11657 150.6
[M]+ 194.14135 148.1
[M]- 194.14245 148.1
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