CID 12904726

4-amino-2-methylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C6H7N3O
SMILES
CC1=NC=C(C(=N1)N)C=O
InChI
InChI=1S/C6H7N3O/c1-4-8-2-5(3-10)6(7)9-4/h2-3H,1H3,(H2,7,8,9)
InChIKey
NOHYIPRJOCCNMG-UHFFFAOYSA-N
Compound name
4-amino-2-methylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

137.05891 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.7
[M+Na]+ 160.04813 135.8
[M-H]- 136.05163 127.0
[M+NH4]+ 155.09273 144.7
[M+K]+ 176.02207 133.8
[M+H-H2O]+ 120.05617 118.9
[M+HCOO]- 182.05711 149.5
[M+CH3COO]- 196.07276 175.2
[M+Na-2H]- 158.03358 133.5
[M]+ 137.05836 125.3
[M]- 137.05946 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

literature stripe

Patent stripe

patents stripe