CID 2776273

Benzyl 4-isocyanatopiperidine-1-carboxylate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
C1CN(CCC1N=C=O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c17-11-15-13-6-8-16(9-7-13)14(18)19-10-12-4-2-1-3-5-12/h1-5,13H,6-10H2
InChIKey
JBQXPARAPVCGFW-UHFFFAOYSA-N
Compound name
benzyl 4-isocyanatopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

260.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.6
[M+Na]+ 283.105318 163.2
[M-H]- 259.108824 164.2
[M+NH4]+ 278.149923 173.7
[M+K]+ 299.079258 161.0
[M+H-H2O]+ 243.113360 149.6
[M+HCOO]- 305.114301 180.2
[M+CH3COO]- 319.129951 196.8
[M+Na-2H]- 281.090766 162.8
[M]+ 260.11555142 156.7
[M]- 260.11664858 156.7
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