CID 90875

N-(2-hydroxypropyl)hexanamide

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCCCCC(=O)NCC(C)O
InChI
InChI=1S/C9H19NO2/c1-3-4-5-6-9(12)10-7-8(2)11/h8,11H,3-7H2,1-2H3,(H,10,12)
InChIKey
WEJHDPCZRFVRCX-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropyl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

173.14159 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 143.3
[M+Na]+ 196.13081 147.9
[M-H]- 172.13431 141.7
[M+NH4]+ 191.17541 162.7
[M+K]+ 212.10475 147.2
[M+H-H2O]+ 156.13885 138.0
[M+HCOO]- 218.13979 164.3
[M+CH3COO]- 232.15544 182.5
[M+Na-2H]- 194.11626 145.8
[M]+ 173.14104 143.8
[M]- 173.14214 143.8
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