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]+ 163.086596 129.5
[M+Na]+ 185.068538 136.7
[M-H]- 161.072044 133.2
[M+NH4]+ 180.113143 141.1
[M+K]+ 201.042478 137.5
[M+H-H2O]+ 145.076580 116.7
[M+HCOO]- 207.077521 150.2
[M+CH3COO]- 221.093171 180.6
[M+Na-2H]- 183.053986 136.9
[M]+ 162.07877142 137.3
[M]- 162.07986858 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.