CID 137071

N-(2-methylpropyl)acetamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CC(C)CNC(=O)C
InChI
InChI=1S/C6H13NO/c1-5(2)4-7-6(3)8/h5H,4H2,1-3H3,(H,7,8)
InChIKey
VDQMVRFHUYAKJL-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

874
Patents

115.09972 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 125.4
[M+Na]+ 138.08894 134.6
[M+NH4]+ 133.13354 133.3
[M+K]+ 154.06288 130.1
[M-H]- 114.09244 125.2
[M+Na-2H]- 136.07439 128.9
[M]+ 115.09917 126.3
[M]- 115.10027 126.3
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