CID 219625

3,3-dimethylbutanamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)(C)CC(=O)N
InChI
InChI=1S/C6H13NO/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H2,7,8)
InChIKey
LINZZISWCNKFEM-UHFFFAOYSA-N
Compound name
3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1871
Patents

115.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.1
[M+Na]+ 138.088938 132.2
[M-H]- 114.092444 125.3
[M+NH4]+ 133.133543 147.6
[M+K]+ 154.062878 132.2
[M+H-H2O]+ 98.096980 121.2
[M+HCOO]- 160.097921 147.3
[M+CH3COO]- 174.113571 172.7
[M+Na-2H]- 136.074386 130.8
[M]+ 115.09917142 124.1
[M]- 115.10026858 124.1
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