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]+ 138.091336 127.4
[M+Na]+ 160.073278 137.0
[M-H]- 136.076784 128.9
[M+NH4]+ 155.117883 149.6
[M+K]+ 176.047218 134.5
[M+H-H2O]+ 120.081320 122.1
[M+HCOO]- 182.082261 150.7
[M+CH3COO]- 196.097911 171.8
[M+Na-2H]- 158.058726 132.0
[M]+ 137.08351142 127.8
[M]- 137.08460858 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.