CID 20126

Heptanamide, 2-ethyl-

Structural Information

Molecular Formula
C9H19NO
SMILES
CCCCCC(CC)C(=O)N
InChI
InChI=1S/C9H19NO/c1-3-5-6-7-8(4-2)9(10)11/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKey
AOFZLQPFVNKHSR-UHFFFAOYSA-N
Compound name
2-ethylheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

295
Patents

157.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 140.0
[M+Na]+ 180.135888 145.0
[M-H]- 156.139394 139.4
[M+NH4]+ 175.180493 160.5
[M+K]+ 196.109828 144.4
[M+H-H2O]+ 140.143930 134.8
[M+HCOO]- 202.144871 161.7
[M+CH3COO]- 216.160521 183.1
[M+Na-2H]- 178.121336 142.0
[M]+ 157.14612142 140.0
[M]- 157.14721858 140.0
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