CID 144264

2,5-dimethyl-5-hexen-3-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)C(CC(=C)C)O
InChI
InChI=1S/C8H16O/c1-6(2)5-8(9)7(3)4/h7-9H,1,5H2,2-4H3
InChIKey
LCBOFRBFVBROGF-UHFFFAOYSA-N
Compound name
2,5-dimethylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

128.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 130.8
[M+Na]+ 151.109338 136.5
[M-H]- 127.112844 129.7
[M+NH4]+ 146.153943 152.3
[M+K]+ 167.083278 136.1
[M+H-H2O]+ 111.117380 126.8
[M+HCOO]- 173.118321 150.0
[M+CH3COO]- 187.133971 174.2
[M+Na-2H]- 149.094786 132.6
[M]+ 128.11957142 129.7
[M]- 128.12066858 129.7
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