CID 579338

1-ethyl-1h-pyrrole-2-carbaldehyde

Structural Information

Molecular Formula
C7H9NO
SMILES
CCN1C=CC=C1C=O
InChI
InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3
InChIKey
DVLGEHCERRWDIX-UHFFFAOYSA-N
Compound name
1-ethylpyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

141
Patents

123.06841 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 122.5
[M+Na]+ 146.05763 131.9
[M-H]- 122.06113 125.2
[M+NH4]+ 141.10223 145.6
[M+K]+ 162.03157 130.7
[M+H-H2O]+ 106.06567 116.8
[M+HCOO]- 168.06661 147.6
[M+CH3COO]- 182.08226 170.3
[M+Na-2H]- 144.04308 128.8
[M]+ 123.06786 124.0
[M]- 123.06896 124.0
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