CID 23043336

5-methylpyrimidine-2-carbaldehyde

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC1=CN=C(N=C1)C=O
InChI
InChI=1S/C6H6N2O/c1-5-2-7-6(4-9)8-3-5/h2-4H,1H3
InChIKey
OBPDHHJZPOGJPO-UHFFFAOYSA-N
Compound name
5-methylpyrimidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

122.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.9
[M+Na]+ 145.03723 136.0
[M+NH4]+ 140.08183 130.1
[M+K]+ 161.01117 129.7
[M-H]- 121.04073 123.0
[M+Na-2H]- 143.02268 129.8
[M]+ 122.04746 124.1
[M]- 122.04856 124.1
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