CID 20569293

2-cyclopropyloxan-4-one

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC1C2CC(=O)CCO2
InChI
InChI=1S/C8H12O2/c9-7-3-4-10-8(5-7)6-1-2-6/h6,8H,1-5H2
InChIKey
HHMHCKIAEBFNHY-UHFFFAOYSA-N
Compound name
2-cyclopropyloxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.3
[M+Na]+ 163.07294 136.3
[M-H]- 139.07644 136.3
[M+NH4]+ 158.11754 143.7
[M+K]+ 179.04688 136.1
[M+H-H2O]+ 123.08098 122.0
[M+HCOO]- 185.08192 148.9
[M+CH3COO]- 199.09757 175.9
[M+Na-2H]- 161.05839 134.9
[M]+ 140.08317 128.0
[M]- 140.08427 128.0
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