CID 59578

N-butyl-n-(2-bromoallyl)acetamide

Structural Information

Molecular Formula
C9H16BrNO
SMILES
CCCCN(CC(=C)Br)C(=O)C
InChI
InChI=1S/C9H16BrNO/c1-4-5-6-11(9(3)12)7-8(2)10/h2,4-7H2,1,3H3
InChIKey
RYJYWMIAKTXSOR-UHFFFAOYSA-N
Compound name
N-(2-bromoprop-2-enyl)-N-butylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.04153 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04881 148.2
[M+Na]+ 256.03075 157.1
[M-H]- 232.03425 152.1
[M+NH4]+ 251.07535 169.8
[M+K]+ 272.00469 147.3
[M+H-H2O]+ 216.03879 147.5
[M+HCOO]- 278.03973 168.5
[M+CH3COO]- 292.05538 195.4
[M+Na-2H]- 254.01620 151.6
[M]+ 233.04098 167.8
[M]- 233.04208 167.8
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.