CID 153434913

1-tert-butyl-3-methylidenecyclobutane

Structural Information

Molecular Formula
C9H16
SMILES
CC(C)(C)C1CC(=C)C1
InChI
InChI=1S/C9H16/c1-7-5-8(6-7)9(2,3)4/h8H,1,5-6H2,2-4H3
InChIKey
RDIJMKIKTCDBOS-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-methylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

124.1252 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 126.2
[M+Na]+ 147.114418 132.6
[M-H]- 123.117924 130.1
[M+NH4]+ 142.159023 142.7
[M+K]+ 163.088358 134.3
[M+H-H2O]+ 107.122460 117.6
[M+HCOO]- 169.123401 146.2
[M+CH3COO]- 183.139051 177.7
[M+Na-2H]- 145.099866 131.7
[M]+ 124.12465142 133.6
[M]- 124.12574858 133.6
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