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

65
Patents

148.06366 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 135.8
[M+Na]+ 171.052878 146.8
[M-H]- 147.056384 140.9
[M+NH4]+ 166.097483 149.7
[M+K]+ 187.026818 143.4
[M+H-H2O]+ 131.060920 127.8
[M+HCOO]- 193.061861 159.0
[M+CH3COO]- 207.077511 178.1
[M+Na-2H]- 169.038326 143.6
[M]+ 148.06311142 138.3
[M]- 148.06420858 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