CID 177798328

2,2-dimethyl-4-(prop-2-yn-1-yl)oxane

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(CC(CCO1)CC#C)C
InChI
InChI=1S/C10H16O/c1-4-5-9-6-7-11-10(2,3)8-9/h1,9H,5-8H2,2-3H3
InChIKey
BETJVBMWGDCADE-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-prop-2-ynyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.12012 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 129.4
[M+Na]+ 175.109338 138.7
[M-H]- 151.112844 132.3
[M+NH4]+ 170.153943 149.3
[M+K]+ 191.083278 136.1
[M+H-H2O]+ 135.117380 119.2
[M+HCOO]- 197.118321 143.8
[M+CH3COO]- 211.133971 185.1
[M+Na-2H]- 173.094786 135.5
[M]+ 152.11957142 122.7
[M]- 152.12066858 122.7
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.