CID 14504

1-methyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C6H7NO
SMILES
CN1C=CC=C1C=O
InChI
InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3
InChIKey
OUKQTRFCDKSEPL-UHFFFAOYSA-N
Compound name
1-methylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

9
References

2408
Patents

109.052765 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.06004 117.8
[M+Na]+ 132.04198 127.7
[M-H]- 108.04549 120.6
[M+NH4]+ 127.08659 141.4
[M+K]+ 148.01592 126.7
[M+H-H2O]+ 92.050025 112.3
[M+HCOO]- 154.05097 143.2
[M+CH3COO]- 168.06662 167.3
[M+Na-2H]- 130.02743 124.7
[M]+ 109.05222 118.9
[M]- 109.05331 118.9
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