CID 3023988

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

Structural Information

Molecular Formula
C11H22O
SMILES
CC(C)CCCC(C)C(=C)CO
InChI
InChI=1S/C11H22O/c1-9(2)6-5-7-10(3)11(4)8-12/h9-10,12H,4-8H2,1-3H3
InChIKey
GQDKFEMTTWAVMQ-UHFFFAOYSA-N
Compound name
3,7-dimethyl-2-methylideneoctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 145.0
[M+Na]+ 193.156288 149.4
[M-H]- 169.159794 143.3
[M+NH4]+ 188.200893 164.8
[M+K]+ 209.130228 148.2
[M+H-H2O]+ 153.164330 140.3
[M+HCOO]- 215.165271 163.1
[M+CH3COO]- 229.180921 183.3
[M+Na-2H]- 191.141736 145.1
[M]+ 170.16652142 145.0
[M]- 170.16761858 145.0
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.