CID 54274702

5-octenal, 2,6-dimethyl-

Structural Information

Molecular Formula
C10H18O
SMILES
CCC(=CCCC(C)C=O)C
InChI
InChI=1S/C10H18O/c1-4-9(2)6-5-7-10(3)8-11/h6,8,10H,4-5,7H2,1-3H3
InChIKey
RMPKHUJAYKUKPH-UHFFFAOYSA-N
Compound name
2,6-dimethyloct-5-enal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

154.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 137.7
[M+Na]+ 177.124988 143.6
[M-H]- 153.128494 137.7
[M+NH4]+ 172.169593 159.0
[M+K]+ 193.098928 142.6
[M+H-H2O]+ 137.133030 133.1
[M+HCOO]- 199.133971 158.9
[M+CH3COO]- 213.149621 180.5
[M+Na-2H]- 175.110436 140.3
[M]+ 154.13522142 139.2
[M]- 154.13631858 139.2
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.