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

3
Patents

110.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.080442 119.1
[M+Na]+ 133.062384 129.6
[M-H]- 109.065890 122.0
[M+NH4]+ 128.106989 141.8
[M+K]+ 149.036324 127.3
[M+H-H2O]+ 93.070426 109.1
[M+HCOO]- 155.071367 136.2
[M+CH3COO]- 169.087017 175.8
[M+Na-2H]- 131.047832 125.9
[M]+ 110.07261742 112.9
[M]- 110.07371458 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

patents stripe