CID 12470643

2-bromohexanamide

Structural Information

Molecular Formula
C6H12BrNO
SMILES
CCCCC(C(=O)N)Br
InChI
InChI=1S/C6H12BrNO/c1-2-3-4-5(7)6(8)9/h5H,2-4H2,1H3,(H2,8,9)
InChIKey
KHIMGLDPWJJWRC-UHFFFAOYSA-N
Compound name
2-bromohexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

193.01022 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01750 135.5
[M+Na]+ 215.99944 135.4
[M+NH4]+ 211.04404 139.4
[M+K]+ 231.97338 136.9
[M-H]- 192.00294 133.7
[M+Na-2H]- 213.98489 135.7
[M]+ 193.00967 133.4
[M]- 193.01077 133.4
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