CID 5365836

2-octen-1-ol, 3,7-dimethyl-

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)CCC/C(=C/CO)/C
InChI
InChI=1S/C10H20O/c1-9(2)5-4-6-10(3)7-8-11/h7,9,11H,4-6,8H2,1-3H3/b10-7+
InChIKey
JNAWJUOCXKIHHG-JXMROGBWSA-N
Compound name
(E)-3,7-dimethyloct-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

352
Patents

156.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 140.5
[M+Na]+ 179.140628 145.6
[M-H]- 155.144134 138.9
[M+NH4]+ 174.185233 161.0
[M+K]+ 195.114568 144.2
[M+H-H2O]+ 139.148670 135.9
[M+HCOO]- 201.149611 159.9
[M+CH3COO]- 215.165261 178.7
[M+Na-2H]- 177.126076 142.4
[M]+ 156.15086142 140.7
[M]- 156.15195858 140.7
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