CID 102981

3,5-dimethylhex-1-en-3-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)CC(C)(C=C)O
InChI
InChI=1S/C8H16O/c1-5-8(4,9)6-7(2)3/h5,7,9H,1,6H2,2-4H3
InChIKey
AOOGNPSUQVRFMF-UHFFFAOYSA-N
Compound name
3,5-dimethylhex-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

128.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 130.2
[M+Na]+ 151.10934 139.8
[M+NH4]+ 146.15394 137.8
[M+K]+ 167.08328 135.1
[M-H]- 127.11284 128.7
[M+Na-2H]- 149.09479 133.2
[M]+ 128.11957 131.0
[M]- 128.12067 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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