CID 3015203

2-bromo-3,3-dimethylbutanamide

Structural Information

Molecular Formula
C6H12BrNO
SMILES
CC(C)(C)C(C(=O)N)Br
InChI
InChI=1S/C6H12BrNO/c1-6(2,3)4(7)5(8)9/h4H,1-3H3,(H2,8,9)
InChIKey
PLXPZSSUCGOIHP-UHFFFAOYSA-N
Compound name
2-bromo-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

193.01022 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.01750 137.4
[M+Na]+ 215.99944 147.4
[M-H]- 192.00294 140.1
[M+NH4]+ 211.04404 159.8
[M+K]+ 231.97338 137.6
[M+H-H2O]+ 176.00748 137.8
[M+HCOO]- 238.00842 155.9
[M+CH3COO]- 252.02407 184.1
[M+Na-2H]- 213.98489 142.5
[M]+ 193.00967 153.9
[M]- 193.01077 153.9
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