CID 11073410

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

Structural Information

Molecular Formula
C7H9NO
SMILES
CCC1=CC=C(N1)C=O
InChI
InChI=1S/C7H9NO/c1-2-6-3-4-7(5-9)8-6/h3-5,8H,2H2,1H3
InChIKey
DGWZGZSZVXVVPK-UHFFFAOYSA-N
Compound name
5-ethyl-1H-pyrrole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

123.06841 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 123.4
[M+Na]+ 146.05763 132.5
[M-H]- 122.06113 124.7
[M+NH4]+ 141.10223 145.8
[M+K]+ 162.03157 130.3
[M+H-H2O]+ 106.06567 118.0
[M+HCOO]- 168.06661 147.0
[M+CH3COO]- 182.08226 167.6
[M+Na-2H]- 144.04308 129.2
[M]+ 123.06786 123.1
[M]- 123.06896 123.1
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