CID 20125

2-ethylhexanamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

3
References

995
Patents

143.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 135.4
[M+Na]+ 166.120228 140.8
[M-H]- 142.123734 134.9
[M+NH4]+ 161.164833 156.4
[M+K]+ 182.094168 140.4
[M+H-H2O]+ 126.128270 130.3
[M+HCOO]- 188.129211 157.4
[M+CH3COO]- 202.144861 180.1
[M+Na-2H]- 164.105676 137.9
[M]+ 143.13046142 135.0
[M]- 143.13155858 135.0
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