CID 176874

Adelmidrol

Structural Information

Molecular Formula
C13H26N2O4
SMILES
C(CCCC(=O)NCCO)CCCC(=O)NCCO
InChI
InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
InChIKey
PAHZPHDAJQIETD-UHFFFAOYSA-N
Compound name
N,N'-bis(2-hydroxyethyl)nonanediamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

428
Patents

274.18927 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.196546 168.2
[M+Na]+ 297.178488 169.8
[M-H]- 273.181994 164.3
[M+NH4]+ 292.223093 182.1
[M+K]+ 313.152428 167.8
[M+H-H2O]+ 257.186530 161.2
[M+HCOO]- 319.187471 188.0
[M+CH3COO]- 333.203121 199.9
[M+Na-2H]- 295.163936 168.5
[M]+ 274.18872142 169.4
[M]- 274.18981858 169.4
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