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]+ 211.144106 153.3
[M+Na]+ 233.126048 159.9
[M-H]- 209.129554 153.5
[M+NH4]+ 228.170653 168.2
[M+K]+ 249.099988 153.4
[M+H-H2O]+ 193.134090 145.3
[M+HCOO]- 255.135031 166.0
[M+CH3COO]- 269.150681 188.5
[M+Na-2H]- 231.111496 157.4
[M]+ 210.13628142 142.9
[M]- 210.13737858 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.