CID 10013364

1-tetradecen-3-one

Structural Information

Molecular Formula
C14H26O
SMILES
CCCCCCCCCCCC(=O)C=C
InChI
InChI=1S/C14H26O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h4H,2-3,5-13H2,1H3
InChIKey
MNIGRDBXCHCIHR-UHFFFAOYSA-N
Compound name
tetradec-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

139
Patents

210.19836 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 155.8
[M+Na]+ 233.18758 160.2
[M-H]- 209.19108 154.8
[M+NH4]+ 228.23218 174.8
[M+K]+ 249.16152 157.6
[M+H-H2O]+ 193.19562 150.2
[M+HCOO]- 255.19656 176.7
[M+CH3COO]- 269.21221 192.5
[M+Na-2H]- 231.17303 157.5
[M]+ 210.19781 159.6
[M]- 210.19891 159.6
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