CID 14216

1114-75-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

69
Patents

157.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 139.7
[M+Na]+ 180.135888 144.8
[M-H]- 156.139394 139.7
[M+NH4]+ 175.180493 160.6
[M+K]+ 196.109828 144.5
[M+H-H2O]+ 140.143930 134.5
[M+HCOO]- 202.144871 162.0
[M+CH3COO]- 216.160521 183.1
[M+Na-2H]- 178.121336 142.8
[M]+ 157.14612142 140.7
[M]- 157.14721858 140.7
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