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]+ 189.102236 138.4
[M+Na]+ 211.084178 151.5
[M-H]- 187.087684 141.9
[M+NH4]+ 206.128783 159.6
[M+K]+ 227.058118 147.9
[M+H-H2O]+ 171.092220 132.1
[M+HCOO]- 233.093161 162.3
[M+CH3COO]- 247.108811 185.6
[M+Na-2H]- 209.069626 144.3
[M]+ 188.09441142 143.4
[M]- 188.09550858 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.