CID 130025202

4-methyl-2-methylidenehexanal

Structural Information

Molecular Formula
C8H14O
SMILES
CCC(C)CC(=C)C=O
InChI
InChI=1S/C8H14O/c1-4-7(2)5-8(3)6-9/h6-7H,3-5H2,1-2H3
InChIKey
HSZAOWVRIDREBV-UHFFFAOYSA-N
Compound name
4-methyl-2-methylidenehexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

126.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 128.1
[M+Na]+ 149.093678 134.7
[M-H]- 125.097184 128.4
[M+NH4]+ 144.138283 150.4
[M+K]+ 165.067618 134.2
[M+H-H2O]+ 109.101720 123.8
[M+HCOO]- 171.102661 150.0
[M+CH3COO]- 185.118311 175.1
[M+Na-2H]- 147.079126 131.8
[M]+ 126.10391142 128.9
[M]- 126.10500858 128.9
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