CID 14642623

4-bromo-n-methoxy-n-methylbutanamide

Structural Information

Molecular Formula
C6H12BrNO2
SMILES
CN(C(=O)CCCBr)OC
InChI
InChI=1S/C6H12BrNO2/c1-8(10-2)6(9)4-3-5-7/h3-5H2,1-2H3
InChIKey
YZPABIVBMNXKJF-UHFFFAOYSA-N
Compound name
4-bromo-N-methoxy-N-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

209.00514 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.01242 137.9
[M+Na]+ 231.99436 147.9
[M-H]- 207.99786 142.2
[M+NH4]+ 227.03896 160.6
[M+K]+ 247.96830 139.5
[M+H-H2O]+ 192.00240 137.4
[M+HCOO]- 254.00334 160.2
[M+CH3COO]- 268.01899 188.9
[M+Na-2H]- 229.97981 144.2
[M]+ 209.00459 159.1
[M]- 209.00569 159.1
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

patents stripe