CID 108556

61565-19-3

Structural Information

Molecular Formula
C9H16O2
SMILES
CCOC(C)OCCCC#C
InChI
InChI=1S/C9H16O2/c1-4-6-7-8-11-9(3)10-5-2/h1,9H,5-8H2,2-3H3
InChIKey
NLFPIKUDKBJDMY-UHFFFAOYSA-N
Compound name
5-(1-ethoxyethoxy)pent-1-yne
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 131.7
[M+Na]+ 179.104258 140.1
[M-H]- 155.107764 131.2
[M+NH4]+ 174.148863 150.7
[M+K]+ 195.078198 139.2
[M+H-H2O]+ 139.112300 121.0
[M+HCOO]- 201.113241 148.8
[M+CH3COO]- 215.128891 187.8
[M+Na-2H]- 177.089706 135.9
[M]+ 156.11449142 130.3
[M]- 156.11558858 130.3
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.