CID 3023370

N,n-bis(2-hydroxyethyl)dimethyloctanamide

Structural Information

Molecular Formula
C14H29NO3
SMILES
CCCCCCC(C)(C)C(=O)N(CCO)CCO
InChI
InChI=1S/C14H29NO3/c1-4-5-6-7-8-14(2,3)13(18)15(9-11-16)10-12-17/h16-17H,4-12H2,1-3H3
InChIKey
LHGRAIBWJITMAA-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)-2,2-dimethyloctanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.21475 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.222026 168.1
[M+Na]+ 282.203968 171.0
[M-H]- 258.207474 165.9
[M+NH4]+ 277.248573 184.1
[M+K]+ 298.177908 170.0
[M+H-H2O]+ 242.212010 162.4
[M+HCOO]- 304.212951 186.2
[M+CH3COO]- 318.228601 199.9
[M+Na-2H]- 280.189416 169.0
[M]+ 259.21420142 171.5
[M]- 259.21529858 171.5
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.