CID 551377

4-methoxycycloheptan-1-one

Structural Information

Molecular Formula
C8H14O2
SMILES
COC1CCCC(=O)CC1
InChI
InChI=1S/C8H14O2/c1-10-8-4-2-3-7(9)5-6-8/h8H,2-6H2,1H3
InChIKey
JBCNVOZBHLLXMS-UHFFFAOYSA-N
Compound name
4-methoxycycloheptan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 123.7
[M+Na]+ 165.088598 127.5
[M-H]- 141.092104 127.8
[M+NH4]+ 160.133203 143.7
[M+K]+ 181.062538 131.4
[M+H-H2O]+ 125.096640 119.4
[M+HCOO]- 187.097581 144.1
[M+CH3COO]- 201.113231 176.0
[M+Na-2H]- 163.074046 128.8
[M]+ 142.09883142 118.5
[M]- 142.09992858 118.5
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