CID 12985

N-tert-butylacetamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(=O)NC(C)(C)C
InChI
InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)
InChIKey
ACYFWRHALJTSCF-UHFFFAOYSA-N
Compound name
N-tert-butylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2285
Patents

115.09972 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.8
[M+Na]+ 138.088938 131.9
[M-H]- 114.092444 125.6
[M+NH4]+ 133.133543 147.6
[M+K]+ 154.062878 132.4
[M+H-H2O]+ 98.096980 120.9
[M+HCOO]- 160.097921 147.6
[M+CH3COO]- 174.113571 172.7
[M+Na-2H]- 136.074386 131.5
[M]+ 115.09917142 124.7
[M]- 115.10026858 124.7
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