CID 13310112

1-hexadecen-3-one

Structural Information

Molecular Formula
C16H30O
SMILES
CCCCCCCCCCCCCC(=O)C=C
InChI
InChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h4H,2-3,5-15H2,1H3
InChIKey
VKZGZMNKJFNRAV-UHFFFAOYSA-N
Compound name
hexadec-1-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

238.22966 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 165.0
[M+Na]+ 261.21888 168.5
[M-H]- 237.22238 163.6
[M+NH4]+ 256.26348 182.8
[M+K]+ 277.19282 165.3
[M+H-H2O]+ 221.22692 159.0
[M+HCOO]- 283.22786 185.2
[M+CH3COO]- 297.24351 198.5
[M+Na-2H]- 259.20433 165.5
[M]+ 238.22911 169.5
[M]- 238.23021 169.5
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