CID 10400609

4-methyl-7,11-heptadecadienal

Structural Information

Molecular Formula
C18H32O
SMILES
CCCCC/C=C\CC/C=C\CCC(C)CCC=O
InChI
InChI=1S/C18H32O/c1-3-4-5-6-7-8-9-10-11-12-13-15-18(2)16-14-17-19/h7-8,11-12,17-18H,3-6,9-10,13-16H2,1-2H3/b8-7-,12-11-
InChIKey
BXUVLPDAJOPHFD-MQEUWQHPSA-N
Compound name
(7Z,11Z)-4-methylheptadeca-7,11-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.24533 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.25261 172.7
[M+Na]+ 287.23455 175.8
[M-H]- 263.23805 171.0
[M+NH4]+ 282.27915 189.6
[M+K]+ 303.20849 171.6
[M+H-H2O]+ 247.24259 166.4
[M+HCOO]- 309.24353 192.5
[M+CH3COO]- 323.25918 202.3
[M+Na-2H]- 285.22000 172.2
[M]+ 264.24478 177.1
[M]- 264.24588 177.1
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

No patent data available for this compound.