CID 71367840

3,5-dimethylhex-3-en-2-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 131.0
[M+Na]+ 151.10934 136.8
[M-H]- 127.11284 129.9
[M+NH4]+ 146.15394 152.6
[M+K]+ 167.08328 136.4
[M+H-H2O]+ 111.11738 127.0
[M+HCOO]- 173.11832 150.2
[M+CH3COO]- 187.13397 173.6
[M+Na-2H]- 149.09479 132.8
[M]+ 128.11957 129.9
[M]- 128.12067 129.9
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