CID 56936041

2,6z-nonadien-4-olide

Structural Information

Molecular Formula
C9H12O2
SMILES
CC/C=C\CC1C=CC(=O)O1
InChI
InChI=1S/C9H12O2/c1-2-3-4-5-8-6-7-9(10)11-8/h3-4,6-8H,2,5H2,1H3/b4-3-
InChIKey
LBJZIOKZMWWEQD-ARJAWSKDSA-N
Compound name
2-[(Z)-pent-2-enyl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 131.4
[M+Na]+ 175.07294 139.4
[M-H]- 151.07644 135.6
[M+NH4]+ 170.11754 153.3
[M+K]+ 191.04688 138.6
[M+H-H2O]+ 135.08098 126.6
[M+HCOO]- 197.08192 155.2
[M+CH3COO]- 211.09757 174.5
[M+Na-2H]- 173.05839 136.8
[M]+ 152.08317 133.0
[M]- 152.08427 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.