CID 56936221

14-pentadecen-2-one

Structural Information

Molecular Formula
C15H28O
SMILES
CC(=O)CCCCCCCCCCCC=C
InChI
InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3H,1,4-14H2,2H3
InChIKey
XFNNAZSYYFVEHV-UHFFFAOYSA-N
Compound name
pentadec-14-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

224.21402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 160.4
[M+Na]+ 247.20324 164.3
[M-H]- 223.20674 159.2
[M+NH4]+ 242.24784 178.8
[M+K]+ 263.17718 161.5
[M+H-H2O]+ 207.21128 154.6
[M+HCOO]- 269.21222 180.9
[M+CH3COO]- 283.22787 195.5
[M+Na-2H]- 245.18869 161.5
[M]+ 224.21347 164.6
[M]- 224.21457 164.6
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