CID 64105750

2-cyclopropyl-3,4-dihydro-2h-pyran-4-one

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC1C2CC(=O)C=CO2
InChI
InChI=1S/C8H10O2/c9-7-3-4-10-8(5-7)6-1-2-6/h3-4,6,8H,1-2,5H2
InChIKey
VVVIPFXUHZYBBC-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2,3-dihydropyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

138.06808 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 126.3
[M+Na]+ 161.057298 135.4
[M-H]- 137.060804 134.7
[M+NH4]+ 156.101903 142.0
[M+K]+ 177.031238 135.0
[M+H-H2O]+ 121.065340 120.1
[M+HCOO]- 183.066281 148.4
[M+CH3COO]- 197.081931 175.5
[M+Na-2H]- 159.042746 134.0
[M]+ 138.06753142 127.5
[M]- 138.06862858 127.5
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