CID 14362353

(3e)-3-pentadecen-2-one

Structural Information

Molecular Formula
C15H28O
SMILES
CCCCCCCCCCC/C=C/C(=O)C
InChI
InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h13-14H,3-12H2,1-2H3/b14-13+
InChIKey
ANXZEFBFFVWWMJ-BUHFOSPRSA-N
Compound name
(E)-pentadec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

224.21402 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.22130 159.9
[M+Na]+ 247.20324 169.0
[M+NH4]+ 242.24784 166.6
[M+K]+ 263.17718 161.0
[M-H]- 223.20674 159.1
[M+Na-2H]- 245.18869 161.7
[M]+ 224.21347 160.7
[M]- 224.21457 160.7
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