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]+ 123.11683 121.7
[M+Na]+ 145.09877 128.8
[M-H]- 121.10227 124.2
[M+NH4]+ 140.14337 136.1
[M+K]+ 161.07271 130.4
[M+H-H2O]+ 105.10681 107.2
[M+HCOO]- 167.10775 137.2
[M+CH3COO]- 181.12340 185.7
[M+Na-2H]- 143.08422 126.1
[M]+ 122.10900 123.1
[M]- 122.11010 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.