CID 11830025

N-(3-bromopropyl)acetamide

Structural Information

Molecular Formula
C5H10BrNO
SMILES
CC(=O)NCCCBr
InChI
InChI=1S/C5H10BrNO/c1-5(8)7-4-2-3-6/h2-4H2,1H3,(H,7,8)
InChIKey
RLSOQVJIKIEVKP-UHFFFAOYSA-N
Compound name
N-(3-bromopropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

178.99458 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.00186 131.7
[M+Na]+ 201.98380 132.4
[M+NH4]+ 197.02840 136.0
[M+K]+ 217.95774 133.2
[M-H]- 177.98730 130.4
[M+Na-2H]- 199.96925 132.9
[M]+ 178.99403 130.0
[M]- 178.99513 130.0
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

patents stripe