CID 12254423

57109-05-4

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=CC2=C(C(=C(N2C=N1)C)C)C=O
InChI
InChI=1S/C11H12N2O/c1-7-4-11-10(5-14)8(2)9(3)13(11)6-12-7/h4-6H,1-3H3
InChIKey
AZFHKHWZTAHQLI-UHFFFAOYSA-N
Compound name
3,6,7-trimethylpyrrolo[1,2-c]pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.5
[M+Na]+ 211.08418 154.7
[M+NH4]+ 206.12878 148.1
[M+K]+ 227.05812 149.4
[M-H]- 187.08768 141.1
[M+Na-2H]- 209.06963 145.9
[M]+ 188.09441 142.2
[M]- 188.09551 142.2
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.