CID 18455001

3,5,6-trimethylpyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC1=C(N=C(C(=N1)C)C=O)C
InChI
InChI=1S/C8H10N2O/c1-5-6(2)10-8(4-11)7(3)9-5/h4H,1-3H3
InChIKey
HSGOLPGJARMUOX-UHFFFAOYSA-N
Compound name
3,5,6-trimethylpyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

150.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 128.9
[M+Na]+ 173.068538 140.1
[M-H]- 149.072044 130.9
[M+NH4]+ 168.113143 148.5
[M+K]+ 189.042478 138.1
[M+H-H2O]+ 133.076580 122.5
[M+HCOO]- 195.077521 151.7
[M+CH3COO]- 209.093171 178.2
[M+Na-2H]- 171.053986 135.8
[M]+ 150.07877142 131.5
[M]- 150.07986858 131.5
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