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 128.3
[M+Na]+ 147.11442 135.0
[M+NH4]+ 142.15902 133.4
[M+K]+ 163.08836 131.2
[M-H]- 123.11792 127.0
[M+Na-2H]- 145.09987 131.1
[M]+ 124.12465 127.7
[M]- 124.12575 127.7
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