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

5
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 123.7
[M+Na]+ 165.08860 127.5
[M-H]- 141.09210 127.8
[M+NH4]+ 160.13320 143.7
[M+K]+ 181.06254 131.4
[M+H-H2O]+ 125.09664 119.4
[M+HCOO]- 187.09758 144.1
[M+CH3COO]- 201.11323 176.0
[M+Na-2H]- 163.07405 128.8
[M]+ 142.09883 118.5
[M]- 142.09993 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