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 116.5
[M+Na]+ 131.08312 126.0
[M-H]- 107.08662 120.0
[M+NH4]+ 126.12772 133.6
[M+K]+ 147.05706 127.0
[M+H-H2O]+ 91.091160 103.8
[M+HCOO]- 153.09210 133.2
[M+CH3COO]- 167.10775 183.0
[M+Na-2H]- 129.06857 123.0
[M]+ 108.09335 118.8
[M]- 108.09445 118.8
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