CID 24903623

2-cyclopropylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CC1C2=NC=C(C=N2)C=O
InChI
InChI=1S/C8H8N2O/c11-5-6-3-9-8(10-4-6)7-1-2-7/h3-5,7H,1-2H2
InChIKey
MESDALXDBSNYMH-UHFFFAOYSA-N
Compound name
2-cyclopropylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

148.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 135.8
[M+Na]+ 171.05288 146.8
[M-H]- 147.05638 140.9
[M+NH4]+ 166.09748 149.7
[M+K]+ 187.02682 143.4
[M+H-H2O]+ 131.06092 127.8
[M+HCOO]- 193.06186 159.0
[M+CH3COO]- 207.07751 178.1
[M+Na-2H]- 169.03833 143.6
[M]+ 148.06311 138.3
[M]- 148.06421 138.3
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