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 160.9
[M+Na]+ 272.13694 167.9
[M-H]- 248.14044 161.0
[M+NH4]+ 267.18154 174.1
[M+K]+ 288.11088 165.7
[M+H-H2O]+ 232.14498 147.2
[M+HCOO]- 294.14592 176.7
[M+CH3COO]- 308.16157 206.1
[M+Na-2H]- 270.12239 164.9
[M]+ 249.14717 156.5
[M]- 249.14827 156.5
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