CID 26808

2,3,5-trimethylpyrazine

Structural Information

Molecular Formula
C7H10N2
SMILES
CC1=CN=C(C(=N1)C)C
InChI
InChI=1S/C7H10N2/c1-5-4-8-6(2)7(3)9-5/h4H,1-3H3
InChIKey
IAEGWXHKWJGQAZ-UHFFFAOYSA-N
Compound name
2,3,5-trimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

41
References

6396
Patents

122.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 122.8
[M+Na]+ 145.07362 133.2
[M-H]- 121.07712 124.5
[M+NH4]+ 140.11822 143.3
[M+K]+ 161.04756 131.6
[M+H-H2O]+ 105.08166 116.4
[M+HCOO]- 167.08260 145.5
[M+CH3COO]- 181.09825 173.0
[M+Na-2H]- 143.05907 131.0
[M]+ 122.08385 123.9
[M]- 122.08495 123.9
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