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

24
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 156.5
[M+Na]+ 235.20324 165.1
[M+NH4]+ 230.24784 163.4
[M+K]+ 251.17718 159.1
[M-H]- 211.20674 155.5
[M+Na-2H]- 233.18869 158.0
[M]+ 212.21347 157.2
[M]- 212.21457 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe