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]+ 176.11823 142.3
[M+Na]+ 198.10017 151.4
[M-H]- 174.10367 144.2
[M+NH4]+ 193.14477 159.2
[M+K]+ 214.07411 149.0
[M+H-H2O]+ 158.10821 129.3
[M+HCOO]- 220.10915 160.9
[M+CH3COO]- 234.12480 195.8
[M+Na-2H]- 196.08562 149.2
[M]+ 175.11040 136.8
[M]- 175.11150 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