CID 163084

65321-41-7

Structural Information

Molecular Formula
C13H19N3O2
SMILES
CC(C)(C)NC[C@@H](COC1=C(C=CC=N1)C#N)O
InChI
InChI=1S/C13H19N3O2/c1-13(2,3)16-8-11(17)9-18-12-10(7-14)5-4-6-15-12/h4-6,11,16-17H,8-9H2,1-3H3/t11-/m0/s1
InChIKey
KVTGTAZVDSYIPY-NSHDSACASA-N
Compound name
2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

4
Patents

249.14772 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15500 159.8
[M+Na]+ 272.13694 168.9
[M+NH4]+ 267.18154 162.4
[M+K]+ 288.11088 161.2
[M-H]- 248.14044 152.6
[M+Na-2H]- 270.12239 161.6
[M]+ 249.14717 158.0
[M]- 249.14827 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe