CID 58686

N-(2-bromoallyl)isobutyramide

Structural Information

Molecular Formula
C7H12BrNO
SMILES
CC(C)C(=O)NCC(=C)Br
InChI
InChI=1S/C7H12BrNO/c1-5(2)7(10)9-4-6(3)8/h5H,3-4H2,1-2H3,(H,9,10)
InChIKey
WRCCJXMMDYZLFS-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.01022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01750 137.3
[M+Na]+ 227.99944 137.1
[M+NH4]+ 223.04404 140.9
[M+K]+ 243.97338 138.9
[M-H]- 204.00294 135.3
[M+Na-2H]- 225.98489 137.4
[M]+ 205.00967 135.2
[M]- 205.01077 135.2
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.