CID 469964

N,n'-bis[1-(hydroxymethyl)propyl]butanediamide

Structural Information

Molecular Formula
C12H24N2O4
SMILES
CCC(CO)NC(=O)CCC(=O)NC(CC)CO
InChI
InChI=1S/C12H24N2O4/c1-3-9(7-15)13-11(17)5-6-12(18)14-10(4-2)8-16/h9-10,15-16H,3-8H2,1-2H3,(H,13,17)(H,14,18)
InChIKey
KPWHIZCDFRTCHP-UHFFFAOYSA-N
Compound name
N,N'-bis(1-hydroxybutan-2-yl)butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.1736 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18088 165.6
[M+Na]+ 283.16282 167.3
[M-H]- 259.16632 162.1
[M+NH4]+ 278.20742 180.0
[M+K]+ 299.13676 166.6
[M+H-H2O]+ 243.17086 159.1
[M+HCOO]- 305.17180 183.8
[M+CH3COO]- 319.18745 198.8
[M+Na-2H]- 281.14827 163.8
[M]+ 260.17305 165.2
[M]- 260.17415 165.2
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

No patent data available for this compound.