CID 83914044

1268242-33-6

Structural Information

Molecular Formula
C8H10N2O
SMILES
CC(C)C1=CN=C(N=C1)C=O
InChI
InChI=1S/C8H10N2O/c1-6(2)7-3-9-8(5-11)10-4-7/h3-6H,1-2H3
InChIKey
PJZWXRSTURIIKD-UHFFFAOYSA-N
Compound name
5-propan-2-ylpyrimidine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 129.9
[M+Na]+ 173.068538 138.9
[M-H]- 149.072044 131.2
[M+NH4]+ 168.113143 148.7
[M+K]+ 189.042478 137.3
[M+H-H2O]+ 133.076580 123.0
[M+HCOO]- 195.077521 151.7
[M+CH3COO]- 209.093171 176.8
[M+Na-2H]- 171.053986 137.0
[M]+ 150.07877142 131.0
[M]- 150.07986858 131.0
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

No patent data available for this compound.