CID 71418867

823806-52-6

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)[N+]#[C-]
InChI
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-9-10-5-7-11(14-4)8-6-10/h5-8H,9H2,1-3H3,(H,15,16)
InChIKey
YPYIUTHYXYMDSW-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-isocyanophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 154.2
[M+Na]+ 255.11041 165.6
[M+NH4]+ 250.15501 158.2
[M+K]+ 271.08435 158.7
[M-H]- 231.11391 149.2
[M+Na-2H]- 253.09586 156.9
[M]+ 232.12064 153.5
[M]- 232.12174 153.5
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.