CID 71587406

Caprylic diisopropanolamide

Structural Information

Molecular Formula
C14H29NO3
SMILES
CCCCCCCC(=O)N(CC(C)O)CC(C)O
InChI
InChI=1S/C14H29NO3/c1-4-5-6-7-8-9-14(18)15(10-12(2)16)11-13(3)17/h12-13,16-17H,4-11H2,1-3H3
InChIKey
CURGOLCMVABTPM-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxypropyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

259.21475 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.222026 169.7
[M+Na]+ 282.203968 171.7
[M-H]- 258.207474 167.3
[M+NH4]+ 277.248573 185.4
[M+K]+ 298.177908 171.2
[M+H-H2O]+ 242.212010 163.4
[M+HCOO]- 304.212951 187.3
[M+CH3COO]- 318.228601 201.3
[M+Na-2H]- 280.189416 167.1
[M]+ 259.21420142 172.2
[M]- 259.21529858 172.2
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