CID 92018

2,5-dimethyl-2-vinylhex-4-enal

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=CCC(C)(C=C)C=O)C
InChI
InChI=1S/C10H16O/c1-5-10(4,8-11)7-6-9(2)3/h5-6,8H,1,7H2,2-4H3
InChIKey
FGBSITKWTRVADL-UHFFFAOYSA-N
Compound name
2-ethenyl-2,5-dimethylhex-4-enal
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

89
Patents

152.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 137.2
[M+Na]+ 175.10934 147.0
[M+NH4]+ 170.15394 144.3
[M+K]+ 191.08328 141.4
[M-H]- 151.11284 135.7
[M+Na-2H]- 173.09479 140.1
[M]+ 152.11957 138.0
[M]- 152.12067 138.0
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

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