CID 10997054

(r)-4-propyldihydrofuran-2(3h)-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CCC[C@@H]1CC(=O)OC1
InChI
InChI=1S/C7H12O2/c1-2-3-6-4-7(8)9-5-6/h6H,2-5H2,1H3/t6-/m1/s1
InChIKey
NVTUTJMZAZZKAZ-ZCFIWIBFSA-N
Compound name
(4R)-4-propyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

128.08372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.0
[M+Na]+ 151.07294 136.3
[M+NH4]+ 146.11754 134.6
[M+K]+ 167.04688 132.8
[M-H]- 127.07644 128.2
[M+Na-2H]- 149.05839 129.8
[M]+ 128.08317 127.9
[M]- 128.08427 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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