CID 25812

1,1-dimethoxynon-2-yne

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC#CC(OC)OC
InChI
InChI=1S/C11H20O2/c1-4-5-6-7-8-9-10-11(12-2)13-3/h11H,4-8H2,1-3H3
InChIKey
RPJGIPAAHSGBEZ-UHFFFAOYSA-N
Compound name
1,1-dimethoxynon-2-yne
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

201
Patents

184.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 140.3
[M+Na]+ 207.13555 148.2
[M-H]- 183.13905 139.6
[M+NH4]+ 202.18015 158.5
[M+K]+ 223.10949 146.8
[M+H-H2O]+ 167.14359 129.4
[M+HCOO]- 229.14453 156.9
[M+CH3COO]- 243.16018 191.9
[M+Na-2H]- 205.12100 143.6
[M]+ 184.14578 139.5
[M]- 184.14688 139.5
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.