CID 3160975

2-(methylamino)pyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H7N3O
SMILES
CNC1=NC=C(C=N1)C=O
InChI
InChI=1S/C6H7N3O/c1-7-6-8-2-5(4-10)3-9-6/h2-4H,1H3,(H,7,8,9)
InChIKey
FYDLRGFOAYUXIT-UHFFFAOYSA-N
Compound name
2-(methylamino)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

137.05891 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 125.1
[M+Na]+ 160.048128 134.2
[M-H]- 136.051634 126.5
[M+NH4]+ 155.092733 144.1
[M+K]+ 176.022068 132.6
[M+H-H2O]+ 120.056170 118.0
[M+HCOO]- 182.057111 149.5
[M+CH3COO]- 196.072761 174.7
[M+Na-2H]- 158.033576 134.7
[M]+ 137.05836142 125.3
[M]- 137.05945858 125.3
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

patents stripe