CID 22965752

1-(oxolan-3-yl)propan-2-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(=O)CC1CCOC1
InChI
InChI=1S/C7H12O2/c1-6(8)4-7-2-3-9-5-7/h7H,2-5H2,1H3
InChIKey
LITSHGFWFBROPL-UHFFFAOYSA-N
Compound name
1-(oxolan-3-yl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

128.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.6
[M+Na]+ 151.07294 132.8
[M-H]- 127.07644 130.4
[M+NH4]+ 146.11754 148.9
[M+K]+ 167.04688 133.8
[M+H-H2O]+ 111.08098 121.8
[M+HCOO]- 173.08192 148.3
[M+CH3COO]- 187.09757 170.1
[M+Na-2H]- 149.05839 131.4
[M]+ 128.08317 125.7
[M]- 128.08427 125.7
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

patents stripe