CID 2466733

2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C11H12N2O2
SMILES
CC1=CC(=C(N1C2=NOC(=C2)C)C)C=O
InChI
InChI=1S/C11H12N2O2/c1-7-4-10(6-14)9(3)13(7)11-5-8(2)15-12-11/h4-6H,1-3H3
InChIKey
NDTIIGDOZXVDOY-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09715 140.7
[M+Na]+ 227.07909 153.5
[M-H]- 203.08259 147.4
[M+NH4]+ 222.12369 160.4
[M+K]+ 243.05303 151.9
[M+H-H2O]+ 187.08713 134.4
[M+HCOO]- 249.08807 166.2
[M+CH3COO]- 263.10372 186.2
[M+Na-2H]- 225.06454 144.1
[M]+ 204.08932 147.2
[M]- 204.09042 147.2
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.