CID 123618563

1-ethynyl-1-methylcyclopentane

Structural Information

Molecular Formula
C8H12
SMILES
CC1(CCCC1)C#C
InChI
InChI=1S/C8H12/c1-3-8(2)6-4-5-7-8/h1H,4-7H2,2H3
InChIKey
NNGMTMULEKGSTL-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methylcyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

108.0939 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 122.5
[M+Na]+ 131.08312 133.1
[M+NH4]+ 126.12772 129.9
[M+K]+ 147.05706 123.7
[M-H]- 107.08662 116.5
[M+Na-2H]- 129.06857 126.6
[M]+ 108.09335 121.6
[M]- 108.09445 121.6
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