CID 53858163

Dtxsid901021123

Structural Information

Molecular Formula
C12H22O
SMILES
CC(C)CCCC(=CCCC=O)C
InChI
InChI=1S/C12H22O/c1-11(2)7-6-9-12(3)8-4-5-10-13/h8,10-11H,4-7,9H2,1-3H3
InChIKey
GUPPEAFTCCFGGC-UHFFFAOYSA-N
Compound name
5,9-dimethyldec-4-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.17435 147.1
[M+Na]+ 205.15629 152.1
[M-H]- 181.15979 146.7
[M+NH4]+ 200.20089 167.3
[M+K]+ 221.13023 150.6
[M+H-H2O]+ 165.16433 142.0
[M+HCOO]- 227.16527 167.7
[M+CH3COO]- 241.18092 186.6
[M+Na-2H]- 203.14174 148.6
[M]+ 182.16652 149.4
[M]- 182.16762 149.4
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

patents stripe