CID 137699058

2-ethynyl-2-methyloxolane

Structural Information

Molecular Formula
C7H10O
SMILES
CC1(CCCO1)C#C
InChI
InChI=1S/C7H10O/c1-3-7(2)5-4-6-8-7/h1H,4-6H2,2H3
InChIKey
KYPCFKQEHDJZKY-UHFFFAOYSA-N
Compound name
2-ethynyl-2-methyloxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 119.1
[M+Na]+ 133.06238 129.6
[M-H]- 109.06589 122.0
[M+NH4]+ 128.10699 141.8
[M+K]+ 149.03632 127.3
[M+H-H2O]+ 93.070426 109.1
[M+HCOO]- 155.07137 136.2
[M+CH3COO]- 169.08702 175.8
[M+Na-2H]- 131.04783 125.9
[M]+ 110.07262 112.9
[M]- 110.07371 112.9
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.