CID 98731894

(3s)-1-[(tert-butoxy)carbonyl]-3-isocyanopiperidine

Structural Information

Molecular Formula
C11H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)[N+]#[C-]
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-6-9(8-13)12-4/h9H,5-8H2,1-3H3/t9-/m0/s1
InChIKey
ZJTPXLKZTWUFQN-VIFPVBQESA-N
Compound name
tert-butyl (3S)-3-isocyanopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 148.3
[M+Na]+ 233.12605 158.6
[M+NH4]+ 228.17065 152.3
[M+K]+ 249.09999 152.6
[M-H]- 209.12955 142.1
[M+Na-2H]- 231.11150 149.3
[M]+ 210.13628 147.0
[M]- 210.13738 147.0
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

No patent data available for this compound.