CID 126970550

4-ethynyl-2,2,6,6-tetramethyloxane

Structural Information

Molecular Formula
C11H18O
SMILES
CC1(CC(CC(O1)(C)C)C#C)C
InChI
InChI=1S/C11H18O/c1-6-9-7-10(2,3)12-11(4,5)8-9/h1,9H,7-8H2,2-5H3
InChIKey
DLZOJFNKCGHNLU-UHFFFAOYSA-N
Compound name
4-ethynyl-2,2,6,6-tetramethyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 130.8
[M+Na]+ 189.12499 141.7
[M-H]- 165.12849 134.5
[M+NH4]+ 184.16959 152.4
[M+K]+ 205.09893 138.7
[M+H-H2O]+ 149.13303 121.7
[M+HCOO]- 211.13397 145.1
[M+CH3COO]- 225.14962 188.6
[M+Na-2H]- 187.11044 137.1
[M]+ 166.13522 125.3
[M]- 166.13632 125.3
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.