CID 3153309

Laccase

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

4983
References

48
Patents

151.09972 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 130.2
[M+Na]+ 174.088938 140.7
[M-H]- 150.092444 133.4
[M+NH4]+ 169.133543 152.8
[M+K]+ 190.062878 138.9
[M+H-H2O]+ 134.096980 124.9
[M+HCOO]- 196.097921 154.7
[M+CH3COO]- 210.113571 178.6
[M+Na-2H]- 172.074386 134.2
[M]+ 151.09917142 133.3
[M]- 151.10026858 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

literature stripe

Patent stripe

patents stripe