CID 59353

2-ethyl-5-methylhexanamide

Structural Information

Molecular Formula
C9H19NO
SMILES
CCC(CCC(C)C)C(=O)N
InChI
InChI=1S/C9H19NO/c1-4-8(9(10)11)6-5-7(2)3/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKey
MXZJHUFPDPEROD-UHFFFAOYSA-N
Compound name
2-ethyl-5-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

157.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 140.4
[M+Na]+ 180.13589 145.1
[M-H]- 156.13939 139.8
[M+NH4]+ 175.18049 160.8
[M+K]+ 196.10983 145.0
[M+H-H2O]+ 140.14393 135.2
[M+HCOO]- 202.14487 161.0
[M+CH3COO]- 216.16052 184.0
[M+Na-2H]- 178.12134 141.1
[M]+ 157.14612 139.7
[M]- 157.14722 139.7
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

No patent data available for this compound.