CID 228015

7-ethyl-2-methyl-4-undecanone

Structural Information

Molecular Formula
C14H28O
SMILES
CCCCC(CC)CCC(=O)CC(C)C
InChI
InChI=1S/C14H28O/c1-5-7-8-13(6-2)9-10-14(15)11-12(3)4/h12-13H,5-11H2,1-4H3
InChIKey
RLGPVWMQXJXBGR-UHFFFAOYSA-N
Compound name
7-ethyl-2-methylundecan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

212.21402 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 158.1
[M+Na]+ 235.20324 161.8
[M-H]- 211.20674 157.3
[M+NH4]+ 230.24784 177.0
[M+K]+ 251.17718 160.7
[M+H-H2O]+ 195.21128 152.7
[M+HCOO]- 257.21222 176.8
[M+CH3COO]- 271.22787 195.0
[M+Na-2H]- 233.18869 157.2
[M]+ 212.21347 161.3
[M]- 212.21457 161.3
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.