CID 144182

Cyclobutane, 3-ethynyl-1,1-dimethyl-

Structural Information

Molecular Formula
C8H12
SMILES
CC1(CC(C1)C#C)C
InChI
InChI=1S/C8H12/c1-4-7-5-8(2,3)6-7/h1,7H,5-6H2,2-3H3
InChIKey
PXEFRHXCZUHQRZ-UHFFFAOYSA-N
Compound name
3-ethynyl-1,1-dimethylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

108.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.10118 119.6
[M+Na]+ 131.08312 127.3
[M+NH4]+ 126.12772 123.3
[M+K]+ 147.05706 118.8
[M-H]- 107.08662 111.6
[M+Na-2H]- 129.06857 122.0
[M]+ 108.09335 116.8
[M]- 108.09445 116.8
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