CID 117113

3-nonyne, 8,8-dimethoxy-

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC#CCCCC(C)(OC)OC
InChI
InChI=1S/C11H20O2/c1-5-6-7-8-9-10-11(2,12-3)13-4/h5,8-10H2,1-4H3
InChIKey
FOLLXEFHXQRDRH-UHFFFAOYSA-N
Compound name
8,8-dimethoxynon-3-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 141.3
[M+Na]+ 207.13555 150.8
[M+NH4]+ 202.18015 145.0
[M+K]+ 223.10949 142.4
[M-H]- 183.13905 132.4
[M+Na-2H]- 205.12100 141.8
[M]+ 184.14578 139.2
[M]- 184.14688 139.2
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.