CID 53432593

320581-97-3

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N=C=O
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14/h9H,4-7H2,1-3H3
InChIKey
FTILVURMLRFBRO-UHFFFAOYSA-N
Compound name
tert-butyl 4-isocyanatopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

226.13174 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 151.6
[M+Na]+ 249.120958 156.8
[M-H]- 225.124464 154.5
[M+NH4]+ 244.165563 168.9
[M+K]+ 265.094898 156.5
[M+H-H2O]+ 209.129000 144.9
[M+HCOO]- 271.129941 171.2
[M+CH3COO]- 285.145591 191.7
[M+Na-2H]- 247.106406 155.7
[M]+ 226.13119142 150.8
[M]- 226.13228858 150.8
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