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

113
Patents

260.1161 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 158.6
[M+Na]+ 283.10532 163.2
[M-H]- 259.10882 164.2
[M+NH4]+ 278.14992 173.7
[M+K]+ 299.07926 161.0
[M+H-H2O]+ 243.11336 149.6
[M+HCOO]- 305.11430 180.2
[M+CH3COO]- 319.12995 196.8
[M+Na-2H]- 281.09077 162.8
[M]+ 260.11555 156.7
[M]- 260.11665 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