CID 61210

770-27-4

Structural Information

Molecular Formula
C9H10O2
SMILES
CCC(=CC1=CC=CO1)C=O
InChI
InChI=1S/C9H10O2/c1-2-8(7-10)6-9-4-3-5-11-9/h3-7H,2H2,1H3
InChIKey
UCPFCQBLYDXPTR-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethylidene)butanal
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

216
Patents

150.06808 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07536 131.0
[M+Na]+ 173.05730 138.8
[M-H]- 149.06080 135.2
[M+NH4]+ 168.10190 152.6
[M+K]+ 189.03124 138.3
[M+H-H2O]+ 133.06534 125.9
[M+HCOO]- 195.06628 155.2
[M+CH3COO]- 209.08193 173.8
[M+Na-2H]- 171.04275 136.7
[M]+ 150.06753 133.0
[M]- 150.06863 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.