CID 538312

1-(2-methyloxolan-2-yl)ethan-1-one

Structural Information

Molecular Formula
C7H12O2
SMILES
CC(=O)C1(CCCO1)C
InChI
InChI=1S/C7H12O2/c1-6(8)7(2)4-3-5-9-7/h3-5H2,1-2H3
InChIKey
CMFMVWNZRVFKSG-UHFFFAOYSA-N
Compound name
1-(2-methyloxolan-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.2
[M+Na]+ 151.072938 132.2
[M-H]- 127.076444 129.3
[M+NH4]+ 146.117543 149.5
[M+K]+ 167.046878 133.4
[M+H-H2O]+ 111.080980 121.4
[M+HCOO]- 173.081921 146.9
[M+CH3COO]- 187.097571 169.6
[M+Na-2H]- 149.058386 131.2
[M]+ 128.08317142 124.6
[M]- 128.08426858 124.6
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