CID 795544

2-(dimethylamino)-5-pyrimidinecarbaldehyde

Structural Information

Molecular Formula
C7H9N3O
SMILES
CN(C)C1=NC=C(C=N1)C=O
InChI
InChI=1S/C7H9N3O/c1-10(2)7-8-3-6(5-11)4-9-7/h3-5H,1-2H3
InChIKey
XBYXYDVSCMMJDT-UHFFFAOYSA-N
Compound name
2-(dimethylamino)pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

225
Patents

151.07455 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 129.2
[M+Na]+ 174.063768 138.1
[M-H]- 150.067274 132.0
[M+NH4]+ 169.108373 148.3
[M+K]+ 190.037708 137.6
[M+H-H2O]+ 134.071810 121.7
[M+HCOO]- 196.072751 153.8
[M+CH3COO]- 210.088401 181.2
[M+Na-2H]- 172.049216 137.6
[M]+ 151.07400142 131.1
[M]- 151.07509858 131.1
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