CID 279722

1-bromocyclobutane-1-carboxamide

Structural Information

Molecular Formula
C5H8BrNO
SMILES
C1CC(C1)(C(=O)N)Br
InChI
InChI=1S/C5H8BrNO/c6-5(4(7)8)2-1-3-5/h1-3H2,(H2,7,8)
InChIKey
NWTUHUOQBOFSPL-UHFFFAOYSA-N
Compound name
1-bromocyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.97893 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98621 124.1
[M+Na]+ 199.96815 133.2
[M-H]- 175.97165 129.9
[M+NH4]+ 195.01275 142.5
[M+K]+ 215.94209 126.4
[M+H-H2O]+ 159.97619 120.6
[M+HCOO]- 221.97713 143.9
[M+CH3COO]- 235.99278 181.9
[M+Na-2H]- 197.95360 131.7
[M]+ 176.97838 147.0
[M]- 176.97948 147.0
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.