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

1870
Patents

115.09972 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.1
[M+Na]+ 138.08894 132.2
[M-H]- 114.09244 125.3
[M+NH4]+ 133.13354 147.6
[M+K]+ 154.06288 132.2
[M+H-H2O]+ 98.096980 121.2
[M+HCOO]- 160.09792 147.3
[M+CH3COO]- 174.11357 172.7
[M+Na-2H]- 136.07439 130.8
[M]+ 115.09917 124.1
[M]- 115.10027 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.