CID 44256586

9z-heptadecenal

Structural Information

Molecular Formula
C17H32O
SMILES
CCCCCCC/C=C\CCCCCCCC=O
InChI
InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h8-9,17H,2-7,10-16H2,1H3/b9-8-
InChIKey
HJEWKIMQTQIIIN-HJWRWDBZSA-N
Compound name
(Z)-heptadec-9-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

252.24532 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.25260 168.9
[M+Na]+ 275.23454 172.3
[M-H]- 251.23804 167.3
[M+NH4]+ 270.27914 186.3
[M+K]+ 291.20848 168.5
[M+H-H2O]+ 235.24258 162.6
[M+HCOO]- 297.24352 189.8
[M+CH3COO]- 311.25917 200.1
[M+Na-2H]- 273.21999 170.2
[M]+ 252.24477 174.4
[M]- 252.24587 174.4
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