CID 12585765

1-cycloheptylpropan-1-one

Structural Information

Molecular Formula
C10H18O
SMILES
CCC(=O)C1CCCCCC1
InChI
InChI=1S/C10H18O/c1-2-10(11)9-7-5-3-4-6-8-9/h9H,2-8H2,1H3
InChIKey
JHUZWGXYYXQYDZ-UHFFFAOYSA-N
Compound name
1-cycloheptylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

154.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 130.0
[M+Na]+ 177.12499 132.0
[M-H]- 153.12849 133.5
[M+NH4]+ 172.16959 149.3
[M+K]+ 193.09893 135.2
[M+H-H2O]+ 137.13303 125.5
[M+HCOO]- 199.13397 148.6
[M+CH3COO]- 213.14962 179.6
[M+Na-2H]- 175.11044 133.5
[M]+ 154.13522 123.2
[M]- 154.13632 123.2
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