CID 12365417

61915-57-9

Structural Information

Molecular Formula
C11H12N2O
SMILES
CC1=NC2=C(C(=C(N2C=C1)C)C)C=O
InChI
InChI=1S/C11H12N2O/c1-7-4-5-13-9(3)8(2)10(6-14)11(13)12-7/h4-6H,1-3H3
InChIKey
XPGRGFFHJWVHEU-UHFFFAOYSA-N
Compound name
2,6,7-trimethylpyrrolo[1,2-a]pyrimidine-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 138.4
[M+Na]+ 211.08418 151.5
[M-H]- 187.08768 141.9
[M+NH4]+ 206.12878 159.6
[M+K]+ 227.05812 147.9
[M+H-H2O]+ 171.09222 132.1
[M+HCOO]- 233.09316 162.3
[M+CH3COO]- 247.10881 185.6
[M+Na-2H]- 209.06963 144.3
[M]+ 188.09441 143.4
[M]- 188.09551 143.4
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.