CID 57484773

1-ethynyl-1-methylcyclobutane

Structural Information

Molecular Formula
C7H10
SMILES
CC1(CCC1)C#C
InChI
InChI=1S/C7H10/c1-3-7(2)5-4-6-7/h1H,4-6H2,2H3
InChIKey
VNVOJPFSGNOBAP-UHFFFAOYSA-N
Compound name
1-ethynyl-1-methylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

94.07825 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.085526 116.8
[M+Na]+ 117.06747 124.4
[M+NH4]+ 112.11207 120.7
[M+K]+ 133.04141 115.9
[M-H]- 93.070974 108.9
[M+Na-2H]- 115.05292 119.6
[M]+ 94.077701 114.0
[M]- 94.078799 114.0
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