CID 88488790

[(1e)-3-bromoprop-1-en-1-yl]cyclobutane

Structural Information

Molecular Formula
C7H11Br
SMILES
C1CC(C1)/C=C/CBr
InChI
InChI=1S/C7H11Br/c8-6-2-5-7-3-1-4-7/h2,5,7H,1,3-4,6H2/b5-2+
InChIKey
FVMDPMVEIMLCEG-GORDUTHDSA-N
Compound name
[(E)-3-bromoprop-1-enyl]cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 122.5
[M+Na]+ 196.99363 131.9
[M-H]- 172.99713 128.5
[M+NH4]+ 192.03823 140.4
[M+K]+ 212.96757 124.5
[M+H-H2O]+ 157.00167 119.2
[M+HCOO]- 219.00261 142.6
[M+CH3COO]- 233.01826 181.1
[M+Na-2H]- 194.97908 130.8
[M]+ 174.00386 146.9
[M]- 174.00496 146.9
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