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

147
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 125.2
[M+Na]+ 151.07294 132.5
[M-H]- 127.07644 129.2
[M+NH4]+ 146.11754 147.9
[M+K]+ 167.04688 133.1
[M+H-H2O]+ 111.08098 120.7
[M+HCOO]- 173.08192 147.9
[M+CH3COO]- 187.09757 170.3
[M+Na-2H]- 149.05839 130.6
[M]+ 128.08317 125.3
[M]- 128.08427 125.3
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