CID 3019020

Nvespkgsujhqdo-uhfffaoysa-n

Structural Information

Molecular Formula
C14H26O
SMILES
CCCC(=O)C(=C(C)C(C)C(C)(C)C)C
InChI
InChI=1S/C14H26O/c1-8-9-13(15)11(3)10(2)12(4)14(5,6)7/h12H,8-9H2,1-7H3
InChIKey
NVESPKGSUJHQDO-UHFFFAOYSA-N
Compound name
5,6,7,8,8-pentamethylnon-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 153.4
[M+Na]+ 233.187578 157.9
[M-H]- 209.191084 153.3
[M+NH4]+ 228.232183 172.7
[M+K]+ 249.161518 157.2
[M+H-H2O]+ 193.195620 149.1
[M+HCOO]- 255.196561 169.9
[M+CH3COO]- 269.212211 193.9
[M+Na-2H]- 231.173026 152.4
[M]+ 210.19781142 154.7
[M]- 210.19890858 154.7
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.