CID 10799583

Tert-butyl 4-cyanobenzylcarbamate

Structural Information

Molecular Formula
C13H16N2O2
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C13H16N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,9H2,1-3H3,(H,15,16)
InChIKey
NCGBJBDHEYDWEC-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-cyanophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
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 155.6
[M+Na]+ 255.11041 165.6
[M+NH4]+ 250.15501 159.1
[M+K]+ 271.08435 157.2
[M-H]- 231.11391 149.5
[M+Na-2H]- 253.09586 158.3
[M]+ 232.12064 154.3
[M]- 232.12174 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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