CID 3020401

3,6-dimethyl-3-vinylhept-5-en-2-ol

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C(C)(CC=C(C)C)C=C)O
InChI
InChI=1S/C11H20O/c1-6-11(5,10(4)12)8-7-9(2)3/h6-7,10,12H,1,8H2,2-5H3
InChIKey
VLWIAHOZUQCLJS-UHFFFAOYSA-N
Compound name
3-ethenyl-3,6-dimethylhept-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

168.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 143.0
[M+Na]+ 191.14063 151.7
[M+NH4]+ 186.18523 149.7
[M+K]+ 207.11457 147.0
[M-H]- 167.14413 140.9
[M+Na-2H]- 189.12608 144.7
[M]+ 168.15086 143.4
[M]- 168.15196 143.4
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

patents stripe