CID 56936238

3-ethylpentadecan-2-one

Structural Information

Molecular Formula
C17H34O
SMILES
CCCCCCCCCCCCC(CC)C(=O)C
InChI
InChI=1S/C17H34O/c1-4-6-7-8-9-10-11-12-13-14-15-17(5-2)16(3)18/h17H,4-15H2,1-3H3
InChIKey
LSZXJOXALPPNQS-UHFFFAOYSA-N
Compound name
3-ethylpentadecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

254.26097 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.26825 171.9
[M+Na]+ 277.25019 174.5
[M-H]- 253.25369 170.4
[M+NH4]+ 272.29479 189.1
[M+K]+ 293.22413 172.1
[M+H-H2O]+ 237.25823 165.7
[M+HCOO]- 299.25917 190.5
[M+CH3COO]- 313.27482 203.1
[M+Na-2H]- 275.23564 170.5
[M]+ 254.26042 176.8
[M]- 254.26152 176.8
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