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

39
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.