CID 243415

N,n,2-trimethylpropanamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)C(=O)N(C)C
InChI
InChI=1S/C6H13NO/c1-5(2)6(8)7(3)4/h5H,1-4H3
InChIKey
GXMIHVHJTLPVKL-UHFFFAOYSA-N
Compound name
N,N,2-trimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4431
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 124.8
[M+Na]+ 138.088938 131.3
[M-H]- 114.092444 126.9
[M+NH4]+ 133.133543 148.0
[M+K]+ 154.062878 133.3
[M+H-H2O]+ 98.096980 120.1
[M+HCOO]- 160.097921 148.7
[M+CH3COO]- 174.113571 177.7
[M+Na-2H]- 136.074386 128.9
[M]+ 115.09917142 126.0
[M]- 115.10026858 126.0
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