CID 89989

5-ethyl-2-furaldehyde

Structural Information

Molecular Formula
C7H8O2
SMILES
CCC1=CC=C(O1)C=O
InChI
InChI=1S/C7H8O2/c1-2-6-3-4-7(5-8)9-6/h3-5H,2H2,1H3
InChIKey
XADGZBXFWQHBDB-UHFFFAOYSA-N
Compound name
5-ethylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

456
Patents

124.05243 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.05971 120.9
[M+Na]+ 147.04165 130.4
[M-H]- 123.04515 125.8
[M+NH4]+ 142.08625 144.1
[M+K]+ 163.01559 130.7
[M+H-H2O]+ 107.04969 116.5
[M+HCOO]- 169.05063 146.7
[M+CH3COO]- 183.06628 169.6
[M+Na-2H]- 145.02710 128.4
[M]+ 124.05188 124.0
[M]- 124.05298 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