CID 83914044

5-isopropylpyrimidine-2-carbaldehyde

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(C)C1=CN=C(N=C1)C=O
InChI
InChI=1S/C8H10N2O/c1-6(2)7-3-9-8(5-11)10-4-7/h3-6H,1-2H3
InChIKey
PJZWXRSTURIIKD-UHFFFAOYSA-N
Compound name
5-propan-2-ylpyrimidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 130.9
[M+Na]+ 173.06854 144.2
[M+NH4]+ 168.11314 138.7
[M+K]+ 189.04248 138.3
[M-H]- 149.07204 131.7
[M+Na-2H]- 171.05399 137.9
[M]+ 150.07877 132.9
[M]- 150.07987 132.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.