CID 11205960

2-tert-butylpyrimidine-5-carbaldehyde

Structural Information

Molecular Formula
C9H12N2O
SMILES
CC(C)(C)C1=NC=C(C=N1)C=O
InChI
InChI=1S/C9H12N2O/c1-9(2,3)8-10-4-7(6-12)5-11-8/h4-6H,1-3H3
InChIKey
UYCUWGSMCUCDQS-UHFFFAOYSA-N
Compound name
2-tert-butylpyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

164.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 135.4
[M+Na]+ 187.08418 144.7
[M-H]- 163.08768 136.7
[M+NH4]+ 182.12878 153.9
[M+K]+ 203.05812 142.8
[M+H-H2O]+ 147.09222 128.8
[M+HCOO]- 209.09316 156.2
[M+CH3COO]- 223.10881 178.6
[M+Na-2H]- 185.06963 143.7
[M]+ 164.09441 136.9
[M]- 164.09551 136.9
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