CID 66192

N,n-diethylbutyramide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCCC(=O)N(CC)CC
InChI
InChI=1S/C8H17NO/c1-4-7-8(10)9(5-2)6-3/h4-7H2,1-3H3
InChIKey
CDQSTBHGKNNPSY-UHFFFAOYSA-N
Compound name
N,N-diethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

752
Patents

143.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 134.2
[M+Na]+ 166.12023 140.1
[M-H]- 142.12373 135.8
[M+NH4]+ 161.16483 156.4
[M+K]+ 182.09417 141.1
[M+H-H2O]+ 126.12827 129.0
[M+HCOO]- 188.12921 158.4
[M+CH3COO]- 202.14486 182.8
[M+Na-2H]- 164.10568 138.5
[M]+ 143.13046 136.8
[M]- 143.13156 136.8
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