CID 22062945

2-methylpyrimidine-4-carbaldehyde

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC1=NC=CC(=N1)C=O
InChI
InChI=1S/C6H6N2O/c1-5-7-3-2-6(4-9)8-5/h2-4H,1H3
InChIKey
BXHGNAADUUXBKK-UHFFFAOYSA-N
Compound name
2-methylpyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

281
Patents

122.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.055286 120.6
[M+Na]+ 145.037228 130.6
[M-H]- 121.040734 122.0
[M+NH4]+ 140.081833 140.6
[M+K]+ 161.011168 129.2
[M+H-H2O]+ 105.045270 114.0
[M+HCOO]- 167.046211 144.0
[M+CH3COO]- 181.061861 169.9
[M+Na-2H]- 143.022676 129.9
[M]+ 122.04746142 121.6
[M]- 122.04855858 121.6
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