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

173
Patents

231.18344 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.190716 159.6
[M+Na]+ 254.172658 162.8
[M-H]- 230.176164 157.4
[M+NH4]+ 249.217263 176.6
[M+K]+ 270.146598 161.9
[M+H-H2O]+ 214.180700 153.5
[M+HCOO]- 276.181641 179.9
[M+CH3COO]- 290.197291 193.5
[M+Na-2H]- 252.158106 160.6
[M]+ 231.18289142 162.7
[M]- 231.18398858 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

literature stripe

Patent stripe

patents stripe