CID 3160972

2-propylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
CCCC1=NC=C(C=N1)C=O
InChI
InChI=1S/C8H10N2O/c1-2-3-8-9-4-7(6-11)5-10-8/h4-6H,2-3H2,1H3
InChIKey
GLQPRYHEYJHVJX-UHFFFAOYSA-N
Compound name
2-propylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

150.07932 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 129.9
[M+Na]+ 173.06854 139.0
[M-H]- 149.07204 130.9
[M+NH4]+ 168.11314 148.7
[M+K]+ 189.04248 137.1
[M+H-H2O]+ 133.07658 122.8
[M+HCOO]- 195.07752 152.6
[M+CH3COO]- 209.09317 176.0
[M+Na-2H]- 171.05399 138.1
[M]+ 150.07877 131.6
[M]- 150.07987 131.6
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

patents stripe