CID 76499

N,n-bis(2-hydroxyethyl)octanamide

Structural Information

Molecular Formula
C12H25NO3
SMILES
CCCCCCCC(=O)N(CCO)CCO
InChI
InChI=1S/C12H25NO3/c1-2-3-4-5-6-7-12(16)13(8-10-14)9-11-15/h14-15H,2-11H2,1H3
InChIKey
FZQAYFWUOCXLKJ-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)octanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

172
Patents

231.18344 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.19072 159.6
[M+Na]+ 254.17266 162.8
[M-H]- 230.17616 157.4
[M+NH4]+ 249.21726 176.6
[M+K]+ 270.14660 161.9
[M+H-H2O]+ 214.18070 153.5
[M+HCOO]- 276.18164 179.9
[M+CH3COO]- 290.19729 193.5
[M+Na-2H]- 252.15811 160.6
[M]+ 231.18289 162.7
[M]- 231.18399 162.7
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

No patent data available for this compound.