CID 3751373

1-methyl-1h-pyrrole-3-carbaldehyde

Structural Information

Molecular Formula
C6H7NO
SMILES
CN1C=CC(=C1)C=O
InChI
InChI=1S/C6H7NO/c1-7-3-2-6(4-7)5-8/h2-5H,1H3
InChIKey
OXADKJPOZQYWIG-UHFFFAOYSA-N
Compound name
1-methylpyrrole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

117
Patents

109.052765 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 119.7
[M+Na]+ 132.04198 132.0
[M+NH4]+ 127.08659 128.4
[M+K]+ 148.01592 127.7
[M-H]- 108.04549 120.7
[M+Na-2H]- 130.02743 126.1
[M]+ 109.05222 121.6
[M]- 109.05331 121.6
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