CID 122240184

(2,2-dimethylbut-3-yn-1-yl)cyclobutane

Structural Information

Molecular Formula
C10H16
SMILES
CC(C)(CC1CCC1)C#C
InChI
InChI=1S/C10H16/c1-4-10(2,3)8-9-6-5-7-9/h1,9H,5-8H2,2-3H3
InChIKey
HTZYCVFVFBXZJH-UHFFFAOYSA-N
Compound name
2,2-dimethylbut-3-ynylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.1252 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 127.3
[M+Na]+ 159.11442 134.5
[M-H]- 135.11792 129.8
[M+NH4]+ 154.15902 141.3
[M+K]+ 175.08836 136.0
[M+H-H2O]+ 119.12246 113.1
[M+HCOO]- 181.12340 141.9
[M+CH3COO]- 195.13905 187.9
[M+Na-2H]- 157.09987 132.6
[M]+ 136.12465 129.1
[M]- 136.12575 129.1
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.