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]+ 125.13248 126.2
[M+Na]+ 147.11442 132.6
[M-H]- 123.11792 130.1
[M+NH4]+ 142.15902 142.7
[M+K]+ 163.08836 134.3
[M+H-H2O]+ 107.12246 117.6
[M+HCOO]- 169.12340 146.2
[M+CH3COO]- 183.13905 177.7
[M+Na-2H]- 145.09987 131.7
[M]+ 124.12465 133.6
[M]- 124.12575 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