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

0
Patents

174.00441 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.011686 122.5
[M+Na]+ 196.993628 131.9
[M-H]- 172.997134 128.5
[M+NH4]+ 192.038233 140.4
[M+K]+ 212.967568 124.5
[M+H-H2O]+ 157.001670 119.2
[M+HCOO]- 219.002611 142.6
[M+CH3COO]- 233.018261 181.1
[M+Na-2H]- 194.979076 130.8
[M]+ 174.00386142 146.9
[M]- 174.00495858 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