CID 86748

3,7-dimethyloct-1-en-3-ol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)CCCC(C)(C=C)O
InChI
InChI=1S/C10H20O/c1-5-10(4,11)8-6-7-9(2)3/h5,9,11H,1,6-8H2,2-4H3
InChIKey
IUDWWFNDSJRYRV-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

338
Patents

156.15141 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 139.2
[M+Na]+ 179.140628 145.0
[M-H]- 155.144134 137.9
[M+NH4]+ 174.185233 159.9
[M+K]+ 195.114568 143.5
[M+H-H2O]+ 139.148670 135.3
[M+HCOO]- 201.149611 158.1
[M+CH3COO]- 215.165261 178.8
[M+Na-2H]- 177.126076 143.1
[M]+ 156.15086142 139.7
[M]- 156.15195858 139.7
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

patents stripe