CID 83914044

1268242-33-6

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 129.9
[M+Na]+ 173.06854 138.9
[M-H]- 149.07204 131.2
[M+NH4]+ 168.11314 148.7
[M+K]+ 189.04248 137.3
[M+H-H2O]+ 133.07658 123.0
[M+HCOO]- 195.07752 151.7
[M+CH3COO]- 209.09317 176.8
[M+Na-2H]- 171.05399 137.0
[M]+ 150.07877 131.0
[M]- 150.07987 131.0
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.