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

184
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

literature stripe

Patent stripe

patents stripe