CID 98731895

2734853-36-0

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-/m1/s1
InChIKey
ZJTPXLKZTWUFQN-SECBINFHSA-N
Compound name
tert-butyl (3R)-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 153.3
[M+Na]+ 233.12605 159.9
[M-H]- 209.12955 153.5
[M+NH4]+ 228.17065 168.2
[M+K]+ 249.09999 153.4
[M+H-H2O]+ 193.13409 145.3
[M+HCOO]- 255.13503 166.0
[M+CH3COO]- 269.15068 188.5
[M+Na-2H]- 231.11150 157.4
[M]+ 210.13628 142.9
[M]- 210.13738 142.9
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.