CID 84032549

5-ethylpyrimidine-2-carbaldehyde

Structural Information

Molecular Formula
C7H8N2O
SMILES
CCC1=CN=C(N=C1)C=O
InChI
InChI=1S/C7H8N2O/c1-2-6-3-8-7(5-10)9-4-6/h3-5H,2H2,1H3
InChIKey
ZQMLIXCRKRMDIW-UHFFFAOYSA-N
Compound name
5-ethylpyrimidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.06366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.07094 125.2
[M+Na]+ 159.05288 134.8
[M-H]- 135.05638 126.5
[M+NH4]+ 154.09748 144.6
[M+K]+ 175.02682 133.1
[M+H-H2O]+ 119.06092 118.4
[M+HCOO]- 181.06186 148.3
[M+CH3COO]- 195.07751 172.9
[M+Na-2H]- 157.03833 134.0
[M]+ 136.06311 126.6
[M]- 136.06421 126.6
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

No patent data available for this compound.