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 152.5
[M+Na]+ 220.10564 159.1
[M-H]- 196.10914 153.4
[M+NH4]+ 215.15024 164.4
[M+K]+ 236.07958 159.0
[M+H-H2O]+ 180.11368 137.7
[M+HCOO]- 242.11462 163.6
[M+CH3COO]- 256.13027 217.7
[M+Na-2H]- 218.09109 153.5
[M]+ 197.11587 145.2
[M]- 197.11697 145.2
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