CID 56841240

Ns00065738

Structural Information

Molecular Formula
C13H34N4O3
SMILES
C[N+](C)(CC(CN)O)CC(C[N+](C)(C)CC(CN)O)O
InChI
InChI=1S/C13H34N4O3/c1-16(2,7-11(18)5-14)9-13(20)10-17(3,4)8-12(19)6-15/h11-13,18-20H,5-10,14-15H2,1-4H3/q+2
InChIKey
MBLQPZSIDYZPJV-UHFFFAOYSA-N
Compound name
(3-amino-2-hydroxypropyl)-[3-[(3-amino-2-hydroxypropyl)-dimethylazaniumyl]-2-hydroxypropyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2631 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.270376 160.6
[M+Na]+ 317.252318 160.9
[M-H]- 293.255824 158.1
[M+NH4]+ 312.296923 204.5
[M+K]+ 333.226258 150.2
[M+H-H2O]+ 277.260360 160.4
[M+HCOO]- 339.261301 215.9
[M+CH3COO]- 353.276951 199.7
[M+Na-2H]- 315.237766 166.9
[M]+ 294.26255142 154.9
[M]- 294.26364858 154.9
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.