CID 10986319

5,5-dimethyl-4-methylidenehexanal

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C)(C)C(=C)CCC=O
InChI
InChI=1S/C9H16O/c1-8(6-5-7-10)9(2,3)4/h7H,1,5-6H2,2-4H3
InChIKey
CYXXSGLCFTYZNV-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4-methylidenehexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.9
[M+Na]+ 163.10934 138.9
[M-H]- 139.11284 132.3
[M+NH4]+ 158.15394 154.0
[M+K]+ 179.08328 138.1
[M+H-H2O]+ 123.11738 128.1
[M+HCOO]- 185.11832 152.9
[M+CH3COO]- 199.13397 176.9
[M+Na-2H]- 161.09479 137.0
[M]+ 140.11957 133.3
[M]- 140.12067 133.3
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.