CID 226282

7770-68-5

Structural Information

Molecular Formula
C14H28N2O4
SMILES
CCCCCNC(=O)C(C(C(=O)NCCCCC)O)O
InChI
InChI=1S/C14H28N2O4/c1-3-5-7-9-15-13(19)11(17)12(18)14(20)16-10-8-6-4-2/h11-12,17-18H,3-10H2,1-2H3,(H,15,19)(H,16,20)
InChIKey
DNTPWBUEQMSTPU-UHFFFAOYSA-N
Compound name
2,3-dihydroxy-N,N'-dipentylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

288.2049 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.21218 174.6
[M+Na]+ 311.19412 175.4
[M-H]- 287.19762 170.6
[M+NH4]+ 306.23872 187.8
[M+K]+ 327.16806 174.2
[M+H-H2O]+ 271.20216 167.7
[M+HCOO]- 333.20310 192.1
[M+CH3COO]- 347.21875 204.7
[M+Na-2H]- 309.17957 171.8
[M]+ 288.20435 174.8
[M]- 288.20545 174.8
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.