CID 45083711

5-(dimethylamino)pyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C7H9N3O
SMILES
CN(C)C1=NC=C(N=C1)C=O
InChI
InChI=1S/C7H9N3O/c1-10(2)7-4-8-6(5-11)3-9-7/h3-5H,1-2H3
InChIKey
WGBUHWXYSOLFEW-UHFFFAOYSA-N
Compound name
5-(dimethylamino)pyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

151.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 129.2
[M+Na]+ 174.06377 138.1
[M-H]- 150.06727 132.0
[M+NH4]+ 169.10837 148.3
[M+K]+ 190.03771 137.6
[M+H-H2O]+ 134.07181 121.7
[M+HCOO]- 196.07275 153.8
[M+CH3COO]- 210.08840 181.2
[M+Na-2H]- 172.04922 137.6
[M]+ 151.07400 131.1
[M]- 151.07510 131.1
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