CID 10103668

5-(tert-butylamino)pyridine-2-carbonitrile

Structural Information

Molecular Formula
C10H13N3
SMILES
CC(C)(C)NC1=CN=C(C=C1)C#N
InChI
InChI=1S/C10H13N3/c1-10(2,3)13-9-5-4-8(6-11)12-7-9/h4-5,7,13H,1-3H3
InChIKey
BDVWUMZERAQKSK-UHFFFAOYSA-N
Compound name
5-(tert-butylamino)pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

175.11095 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.118226 142.3
[M+Na]+ 198.100168 151.4
[M-H]- 174.103674 144.2
[M+NH4]+ 193.144773 159.2
[M+K]+ 214.074108 149.0
[M+H-H2O]+ 158.108210 129.3
[M+HCOO]- 220.109151 160.9
[M+CH3COO]- 234.124801 195.8
[M+Na-2H]- 196.085616 149.2
[M]+ 175.11040142 136.8
[M]- 175.11149858 136.8
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