CID 11344862

146955-45-5

Structural Information

Molecular Formula
C14H26O
SMILES
CCCCCC/C=C\CCCCC(=O)C
InChI
InChI=1S/C14H26O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h8-9H,3-7,10-13H2,1-2H3/b9-8-
InChIKey
ZFQMGOCRWDJUCX-HJWRWDBZSA-N
Compound name
(Z)-tetradec-7-en-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

843
Patents

210.19836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 156.1
[M+Na]+ 233.187578 160.5
[M-H]- 209.191084 155.1
[M+NH4]+ 228.232183 175.1
[M+K]+ 249.161518 157.9
[M+H-H2O]+ 193.195620 150.5
[M+HCOO]- 255.196561 176.9
[M+CH3COO]- 269.212211 191.8
[M+Na-2H]- 231.173026 157.7
[M]+ 210.19781142 159.8
[M]- 210.19890858 159.8
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