CID 3153309

1-ethyl-2,5-dimethyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C9H13NO
SMILES
CCN1C(=CC(=C1C)C=O)C
InChI
InChI=1S/C9H13NO/c1-4-10-7(2)5-9(6-11)8(10)3/h5-6H,4H2,1-3H3
InChIKey
NWDZDFOKSUDVJV-UHFFFAOYSA-N
Compound name
1-ethyl-2,5-dimethylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4881
References

3
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.4
[M+Na]+ 174.08894 144.8
[M+NH4]+ 169.13354 140.7
[M+K]+ 190.06288 140.3
[M-H]- 150.09244 133.4
[M+Na-2H]- 172.07439 137.5
[M]+ 151.09917 134.4
[M]- 151.10027 134.4
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

patents stripe