CID 11242208

16-heptadecen-2-one

Structural Information

Molecular Formula
C17H32O
SMILES
CC(=O)CCCCCCCCCCCCCC=C
InChI
InChI=1S/C17H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18/h3H,1,4-16H2,2H3
InChIKey
CNQUZVBWZSJWDA-UHFFFAOYSA-N
Compound name
heptadec-16-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

252.24532 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 169.5
[M+Na]+ 275.23454 172.6
[M-H]- 251.23804 167.9
[M+NH4]+ 270.27914 186.8
[M+K]+ 291.20848 169.2
[M+H-H2O]+ 235.24258 163.3
[M+HCOO]- 297.24352 189.4
[M+CH3COO]- 311.25917 201.5
[M+Na-2H]- 273.21999 169.5
[M]+ 252.24477 174.5
[M]- 252.24587 174.5
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