CID 2756785

Tert-butyl 3-cyanopiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C#N
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-6-4-5-9(7-12)8-13/h9H,4-6,8H2,1-3H3
InChIKey
UEFZTXGFHKPSFS-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyanopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

210.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.144106 148.2
[M+Na]+ 233.126048 155.3
[M-H]- 209.129554 149.6
[M+NH4]+ 228.170653 164.0
[M+K]+ 249.099988 154.0
[M+H-H2O]+ 193.134090 135.6
[M+HCOO]- 255.135031 161.8
[M+CH3COO]- 269.150681 197.6
[M+Na-2H]- 231.111496 151.3
[M]+ 210.13628142 141.4
[M]- 210.13737858 141.4
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