CID 170127

2,6-bis[(2-hydroxyethyl)amino]-4-methylnicotinonitrile

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 152.8
[M+Na]+ 259.11654 160.6
[M-H]- 235.12004 152.2
[M+NH4]+ 254.16114 165.9
[M+K]+ 275.09048 157.8
[M+H-H2O]+ 219.12458 139.1
[M+HCOO]- 281.12552 171.0
[M+CH3COO]- 295.14117 204.9
[M+Na-2H]- 257.10199 156.9
[M]+ 236.12677 147.2
[M]- 236.12787 147.2
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