CID 66437009

940928-45-0

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1CC(CCO1)C(=O)C
InChI
InChI=1S/C8H14O2/c1-6-5-8(7(2)9)3-4-10-6/h6,8H,3-5H2,1-2H3
InChIKey
HZRKWNUVYQZXRO-UHFFFAOYSA-N
Compound name
1-(2-methyloxan-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.5
[M+Na]+ 165.08860 135.2
[M-H]- 141.09210 133.3
[M+NH4]+ 160.13320 149.7
[M+K]+ 181.06254 136.2
[M+H-H2O]+ 125.09664 124.4
[M+HCOO]- 187.09758 148.8
[M+CH3COO]- 201.11323 174.5
[M+Na-2H]- 163.07405 134.4
[M]+ 142.09883 127.3
[M]- 142.09993 127.3
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

No patent data available for this compound.