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

4
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

patents stripe