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

134
Patents

210.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14411 148.2
[M+Na]+ 233.12605 155.3
[M-H]- 209.12955 149.6
[M+NH4]+ 228.17065 164.0
[M+K]+ 249.09999 154.0
[M+H-H2O]+ 193.13409 135.6
[M+HCOO]- 255.13503 161.8
[M+CH3COO]- 269.15068 197.6
[M+Na-2H]- 231.11150 151.3
[M]+ 210.13628 141.4
[M]- 210.13738 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