CID 321974

6-bromohexanamide

Structural Information

Molecular Formula
C6H12BrNO
SMILES
C(CCC(=O)N)CCBr
InChI
InChI=1S/C6H12BrNO/c7-5-3-1-2-4-6(8)9/h1-5H2,(H2,8,9)
InChIKey
LGCGXHIRLZORQA-UHFFFAOYSA-N
Compound name
6-bromohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

193.01022 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01750 136.5
[M+Na]+ 215.99944 136.7
[M+NH4]+ 211.04404 140.5
[M+K]+ 231.97338 137.4
[M-H]- 192.00294 134.9
[M+Na-2H]- 213.98489 136.9
[M]+ 193.00967 134.6
[M]- 193.01077 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe