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]+ 187.01169 124.2
[M+Na]+ 208.99363 135.9
[M-H]- 184.99713 134.2
[M+NH4]+ 204.03823 137.7
[M+K]+ 224.96757 127.9
[M+H-H2O]+ 169.00167 120.2
[M+HCOO]- 231.00261 144.5
[M+CH3COO]- 245.01826 186.6
[M+Na-2H]- 206.97908 131.9
[M]+ 186.00386 149.2
[M]- 186.00496 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.