CID 57798310

869811-51-8

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)C2=CC=CC=N2
InChI
InChI=1S/C14H17N3O2/c1-13(2,3)19-12(18)17-9-14(8-15,10-17)11-6-4-5-7-16-11/h4-7H,9-10H2,1-3H3
InChIKey
ZNOXLVUEDTYMGN-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-pyridin-2-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

259.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 159.2
[M+Na]+ 282.12130 166.4
[M-H]- 258.12480 161.9
[M+NH4]+ 277.16590 167.7
[M+K]+ 298.09524 167.7
[M+H-H2O]+ 242.12934 140.8
[M+HCOO]- 304.13028 172.7
[M+CH3COO]- 318.14593 207.5
[M+Na-2H]- 280.10675 163.7
[M]+ 259.13153 162.7
[M]- 259.13263 162.7
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