CID 213509

2(3h)-furanone, 5-propyl-

Structural Information

Molecular Formula
C7H10O2
SMILES
CCCC1=CCC(=O)O1
InChI
InChI=1S/C7H10O2/c1-2-3-6-4-5-7(8)9-6/h4H,2-3,5H2,1H3
InChIKey
LQXOMGOPQGMWAI-UHFFFAOYSA-N
Compound name
5-propyl-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

126.06808 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 123.0
[M+Na]+ 149.057298 131.4
[M-H]- 125.060804 127.4
[M+NH4]+ 144.101903 145.9
[M+K]+ 165.031238 131.8
[M+H-H2O]+ 109.065340 118.5
[M+HCOO]- 171.066281 147.2
[M+CH3COO]- 185.081931 169.9
[M+Na-2H]- 147.042746 129.5
[M]+ 126.06753142 124.6
[M]- 126.06862858 124.6
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