CID 155977855

1-(bromomethyl)-3-cyclopropylidenecyclobutane

Structural Information

Molecular Formula
C8H11Br
SMILES
C1CC1=C2CC(C2)CBr
InChI
InChI=1S/C8H11Br/c9-5-6-3-8(4-6)7-1-2-7/h6H,1-5H2
InChIKey
PQLJHZLSBHFAAS-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-cyclopropylidenecyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.00441 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.011686 124.2
[M+Na]+ 208.993628 135.9
[M-H]- 184.997134 134.2
[M+NH4]+ 204.038233 137.7
[M+K]+ 224.967568 127.9
[M+H-H2O]+ 169.001670 120.2
[M+HCOO]- 231.002611 144.5
[M+CH3COO]- 245.018261 186.6
[M+Na-2H]- 206.979076 131.9
[M]+ 186.00386142 149.2
[M]- 186.00495858 149.2
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.