CID 54416293

3,7-dimethyloct-5-ene-1,7-diol

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(CCO)CC=CC(C)(C)O
InChI
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h4,7,9,11-12H,5-6,8H2,1-3H3
InChIKey
VXRCLLPWPPTREM-UHFFFAOYSA-N
Compound name
3,7-dimethyloct-5-ene-1,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

172.14633 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 143.5
[M+Na]+ 195.135548 148.9
[M-H]- 171.139054 140.7
[M+NH4]+ 190.180153 162.8
[M+K]+ 211.109488 146.9
[M+H-H2O]+ 155.143590 139.6
[M+HCOO]- 217.144531 161.2
[M+CH3COO]- 231.160181 177.4
[M+Na-2H]- 193.120996 146.9
[M]+ 172.14578142 143.5
[M]- 172.14687858 143.5
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