CID 25812

Parmavert

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

231
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

literature stripe

Patent stripe

patents stripe