CID 122240131

4-(2-methylbut-3-yn-2-yl)oxane

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)(C#C)C1CCOCC1
InChI
InChI=1S/C10H16O/c1-4-10(2,3)9-5-7-11-8-6-9/h1,9H,5-8H2,2-3H3
InChIKey
NRIFWPNHCOIZEJ-UHFFFAOYSA-N
Compound name
4-(2-methylbut-3-yn-2-yl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 132.9
[M+Na]+ 175.109338 140.6
[M-H]- 151.112844 135.2
[M+NH4]+ 170.153943 150.7
[M+K]+ 191.083278 138.8
[M+H-H2O]+ 135.117380 122.1
[M+HCOO]- 197.118321 145.8
[M+CH3COO]- 211.133971 184.8
[M+Na-2H]- 173.094786 138.8
[M]+ 152.11957142 125.1
[M]- 152.12066858 125.1
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.