CID 12973

N,n-dimethylbutyramide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCCC(=O)N(C)C
InChI
InChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3
InChIKey
VIJUZNJJLALGNJ-UHFFFAOYSA-N
Compound name
N,N-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2384
Patents

115.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.10700 124.9
[M+Na]+ 138.08894 134.7
[M+NH4]+ 133.13354 133.1
[M+K]+ 154.06288 129.9
[M-H]- 114.09244 125.2
[M+Na-2H]- 136.07439 129.1
[M]+ 115.09917 126.1
[M]- 115.10027 126.1
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