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
3
Annotation Hits

0
References

23
Patents

182.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 147.1
[M+Na]+ 205.156288 152.1
[M-H]- 181.159794 146.7
[M+NH4]+ 200.200893 167.3
[M+K]+ 221.130228 150.6
[M+H-H2O]+ 165.164330 142.0
[M+HCOO]- 227.165271 167.7
[M+CH3COO]- 241.180921 186.6
[M+Na-2H]- 203.141736 148.6
[M]+ 182.16652142 149.4
[M]- 182.16761858 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