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
2
Annotation Hits

0
References

151
Patents

236.12732 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.134596 152.8
[M+Na]+ 259.116538 160.6
[M-H]- 235.120044 152.2
[M+NH4]+ 254.161143 165.9
[M+K]+ 275.090478 157.8
[M+H-H2O]+ 219.124580 139.1
[M+HCOO]- 281.125521 171.0
[M+CH3COO]- 295.141171 204.9
[M+Na-2H]- 257.101986 156.9
[M]+ 236.12677142 147.2
[M]- 236.12786858 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