CID 57753738

3-ethyl-5-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C8H11NO
SMILES
CCC1=C(NC(=C1)C)C=O
InChI
InChI=1S/C8H11NO/c1-3-7-4-6(2)9-8(7)5-10/h4-5,9H,3H2,1-2H3
InChIKey
SLGHAQAWIPAMFN-UHFFFAOYSA-N
Compound name
3-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.4
[M+Na]+ 160.07328 137.0
[M-H]- 136.07678 128.9
[M+NH4]+ 155.11788 149.6
[M+K]+ 176.04722 134.5
[M+H-H2O]+ 120.08132 122.1
[M+HCOO]- 182.08226 150.7
[M+CH3COO]- 196.09791 171.8
[M+Na-2H]- 158.05873 132.0
[M]+ 137.08351 127.8
[M]- 137.08461 127.8
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.