CID 129906970

(3r)-2,6-dimethylhept-1-en-3-ol

Structural Information

Molecular Formula
C9H18O
SMILES
CC(C)CC[C@H](C(=C)C)O
InChI
InChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h7,9-10H,3,5-6H2,1-2,4H3/t9-/m1/s1
InChIKey
ZYIDUZDEBVFLGO-SECBINFHSA-N
Compound name
(3R)-2,6-dimethylhept-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.14305 135.6
[M+Na]+ 165.12499 140.8
[M-H]- 141.12849 134.2
[M+NH4]+ 160.16959 156.5
[M+K]+ 181.09893 140.2
[M+H-H2O]+ 125.13303 131.3
[M+HCOO]- 187.13397 154.3
[M+CH3COO]- 201.14962 177.3
[M+Na-2H]- 163.11044 136.8
[M]+ 142.13522 134.9
[M]- 142.13632 134.9
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

No patent data available for this compound.