CID 112229

6,6-dimethoxy-2-methylhept-2-ene

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(=CCCC(C)(OC)OC)C
InChI
InChI=1S/C10H20O2/c1-9(2)7-6-8-10(3,11-4)12-5/h7H,6,8H2,1-5H3
InChIKey
GCBQWUQBDZJZLB-UHFFFAOYSA-N
Compound name
6,6-dimethoxy-2-methylhept-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 141.7
[M+Na]+ 195.13555 148.0
[M-H]- 171.13905 141.8
[M+NH4]+ 190.18015 162.5
[M+K]+ 211.10949 147.9
[M+H-H2O]+ 155.14359 137.4
[M+HCOO]- 217.14453 162.4
[M+CH3COO]- 231.16018 182.8
[M+Na-2H]- 193.12100 146.2
[M]+ 172.14578 145.6
[M]- 172.14688 145.6
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.