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]+ 139.07536 126.3
[M+Na]+ 161.05730 135.4
[M-H]- 137.06080 134.7
[M+NH4]+ 156.10190 142.0
[M+K]+ 177.03124 135.0
[M+H-H2O]+ 121.06534 120.1
[M+HCOO]- 183.06628 148.4
[M+CH3COO]- 197.08193 175.5
[M+Na-2H]- 159.04275 134.0
[M]+ 138.06753 127.5
[M]- 138.06863 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