CID 85226

15986-93-3

Structural Information

Molecular Formula
C7H12N2
SMILES
CCC1=NCCN=C1C
InChI
InChI=1S/C7H12N2/c1-3-7-6(2)8-4-5-9-7/h3-5H2,1-2H3
InChIKey
KVMUMGRJMXZCMW-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-2,3-dihydropyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

124.10005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.107326 125.3
[M+Na]+ 147.089268 133.6
[M-H]- 123.092774 126.2
[M+NH4]+ 142.133873 145.2
[M+K]+ 163.063208 132.3
[M+H-H2O]+ 107.097310 118.5
[M+HCOO]- 169.098251 146.5
[M+CH3COO]- 183.113901 172.2
[M+Na-2H]- 145.074716 133.0
[M]+ 124.09950142 124.5
[M]- 124.10059858 124.5
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