CID 3015572

2-ethyl-n,n-dimethylbutyramide

Structural Information

Molecular Formula
C8H17NO
SMILES
CCC(CC)C(=O)N(C)C
InChI
InChI=1S/C8H17NO/c1-5-7(6-2)8(10)9(3)4/h7H,5-6H2,1-4H3
InChIKey
GBSXCHLYXIBMCZ-UHFFFAOYSA-N
Compound name
2-ethyl-N,N-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

143.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.4
[M+Na]+ 166.120228 140.1
[M-H]- 142.123734 136.1
[M+NH4]+ 161.164833 156.5
[M+K]+ 182.094168 141.5
[M+H-H2O]+ 126.128270 129.3
[M+HCOO]- 188.129211 157.5
[M+CH3COO]- 202.144861 183.7
[M+Na-2H]- 164.105676 137.4
[M]+ 143.13046142 136.3
[M]- 143.13155858 136.3
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