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]+ 185.153606 142.5
[M+Na]+ 207.135548 150.8
[M-H]- 183.139054 142.1
[M+NH4]+ 202.180153 160.8
[M+K]+ 223.109488 149.6
[M+H-H2O]+ 167.143590 132.0
[M+HCOO]- 229.144531 158.6
[M+CH3COO]- 243.160181 191.5
[M+Na-2H]- 205.120996 147.2
[M]+ 184.14578142 141.8
[M]- 184.14687858 141.8
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.