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

18
Patents

128.08372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 126.6
[M+Na]+ 151.072938 132.8
[M-H]- 127.076444 130.4
[M+NH4]+ 146.117543 148.9
[M+K]+ 167.046878 133.8
[M+H-H2O]+ 111.080980 121.8
[M+HCOO]- 173.081921 148.3
[M+CH3COO]- 187.097571 170.1
[M+Na-2H]- 149.058386 131.4
[M]+ 128.08317142 125.7
[M]- 128.08426858 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