CID 64985736

2-cyclobutylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CC(C1)C2=NC=C(C=N2)C=O
InChI
InChI=1S/C9H10N2O/c12-6-7-4-10-9(11-5-7)8-2-1-3-8/h4-6,8H,1-3H2
InChIKey
DVDUNOHNCYUHSG-UHFFFAOYSA-N
Compound name
2-cyclobutylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 129.5
[M+Na]+ 185.06854 136.7
[M-H]- 161.07204 133.2
[M+NH4]+ 180.11314 141.1
[M+K]+ 201.04248 137.5
[M+H-H2O]+ 145.07658 116.7
[M+HCOO]- 207.07752 150.2
[M+CH3COO]- 221.09317 180.6
[M+Na-2H]- 183.05399 136.9
[M]+ 162.07877 137.3
[M]- 162.07987 137.3
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.