CID 107245

(2,3-dihydroxypropyl)bis(2-cyanethyl)amine

Structural Information

Molecular Formula
C9H15N3O2
SMILES
C(CN(CCC#N)CC(CO)O)C#N
InChI
InChI=1S/C9H15N3O2/c10-3-1-5-12(6-2-4-11)7-9(14)8-13/h9,13-14H,1-2,5-8H2
InChIKey
GAPDHXRQKMUCKH-UHFFFAOYSA-N
Compound name
3-[2-cyanoethyl(2,3-dihydroxypropyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

197.11642 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 169.2
[M+Na]+ 220.10564 174.5
[M+NH4]+ 215.15024 168.5
[M+K]+ 236.07958 165.7
[M-H]- 196.10914 157.3
[M+Na-2H]- 218.09109 165.7
[M]+ 197.11587 165.0
[M]- 197.11697 165.0
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