CID 3153309

80498-15-3

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

4947
References

5
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 130.2
[M+Na]+ 174.08894 140.7
[M-H]- 150.09244 133.4
[M+NH4]+ 169.13354 152.8
[M+K]+ 190.06288 138.9
[M+H-H2O]+ 134.09698 124.9
[M+HCOO]- 196.09792 154.7
[M+CH3COO]- 210.11357 178.6
[M+Na-2H]- 172.07439 134.2
[M]+ 151.09917 133.3
[M]- 151.10027 133.3
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