CID 167719771

(2-methylbut-3-yn-1-yl)cyclobutane

Structural Information

Molecular Formula
C9H14
SMILES
CC(CC1CCC1)C#C
InChI
InChI=1S/C9H14/c1-3-8(2)7-9-5-4-6-9/h1,8-9H,4-7H2,2H3
InChIKey
GHALBDKPXWKHJS-UHFFFAOYSA-N
Compound name
2-methylbut-3-ynylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

122.10955 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.116826 121.7
[M+Na]+ 145.098768 128.8
[M-H]- 121.102274 124.2
[M+NH4]+ 140.143373 136.1
[M+K]+ 161.072708 130.4
[M+H-H2O]+ 105.106810 107.2
[M+HCOO]- 167.107751 137.2
[M+CH3COO]- 181.123401 185.7
[M+Na-2H]- 143.084216 126.1
[M]+ 122.10900142 123.1
[M]- 122.11009858 123.1
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

No patent data available for this compound.