CID 23000612

439118-51-1

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=CC=C1C#N
InChI
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-9-11-7-5-4-6-10(11)8-14/h4-7H,9H2,1-3H3,(H,15,16)
InChIKey
UVSPFCKIIRSFTO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-cyanophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
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 158.3
[M+Na]+ 255.11041 166.6
[M-H]- 231.11391 161.5
[M+NH4]+ 250.15501 174.3
[M+K]+ 271.08435 164.3
[M+H-H2O]+ 215.11845 145.7
[M+HCOO]- 277.11939 177.1
[M+CH3COO]- 291.13504 204.0
[M+Na-2H]- 253.09586 162.5
[M]+ 232.12064 154.6
[M]- 232.12174 154.6
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