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

13
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.2
[M+Na]+ 151.07294 132.2
[M-H]- 127.07644 129.3
[M+NH4]+ 146.11754 149.5
[M+K]+ 167.04688 133.4
[M+H-H2O]+ 111.08098 121.4
[M+HCOO]- 173.08192 146.9
[M+CH3COO]- 187.09757 169.6
[M+Na-2H]- 149.05839 131.2
[M]+ 128.08317 124.6
[M]- 128.08427 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