CID 528620

Hexanamide, n-isopropyl

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

157.14667 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe