CID 170127

38841-88-2

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CC1=CC(=NC(=C1C#N)NCCO)NCCO
InChI
InChI=1S/C11H16N4O2/c1-8-6-10(13-2-4-16)15-11(9(8)7-12)14-3-5-17/h6,16-17H,2-5H2,1H3,(H2,13,14,15)
InChIKey
KJDUOAYSUMEGDN-UHFFFAOYSA-N
Compound name
2,6-bis(2-hydroxyethylamino)-4-methylpyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

236.12732 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 155.5
[M+Na]+ 259.11654 164.5
[M+NH4]+ 254.16114 157.9
[M+K]+ 275.09048 156.5
[M-H]- 235.12004 148.9
[M+Na-2H]- 257.10199 156.9
[M]+ 236.12677 153.7
[M]- 236.12787 153.7
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