CID 5463938

N-(2-hydroxypropyl)octanamide

Structural Information

Molecular Formula
C11H23NO2
SMILES
CCCCCCCC(=O)NCC(C)O
InChI
InChI=1S/C11H23NO2/c1-3-4-5-6-7-8-11(14)12-9-10(2)13/h10,13H,3-9H2,1-2H3,(H,12,14)
InChIKey
HYALHALGUKZZPY-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropyl)octanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

39
Patents

201.17288 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.180156 152.5
[M+Na]+ 224.162098 156.2
[M-H]- 200.165604 150.5
[M+NH4]+ 219.206703 170.7
[M+K]+ 240.136038 155.0
[M+H-H2O]+ 184.170140 146.8
[M+HCOO]- 246.171081 172.8
[M+CH3COO]- 260.186731 188.5
[M+Na-2H]- 222.147546 153.9
[M]+ 201.17233142 153.7
[M]- 201.17342858 153.7
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