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

169
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 136.4
[M+Na]+ 215.99944 146.1
[M-H]- 192.00294 138.6
[M+NH4]+ 211.04404 158.7
[M+K]+ 231.97338 135.5
[M+H-H2O]+ 176.00748 136.1
[M+HCOO]- 238.00842 157.2
[M+CH3COO]- 252.02407 183.7
[M+Na-2H]- 213.98489 142.2
[M]+ 193.00967 154.1
[M]- 193.01077 154.1
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.