CID 3729801

N'-phenyl(tert-butoxy)carbohydrazide

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C)OC(=O)NNC1=CC=CC=C1
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-12-9-7-5-4-6-8-9/h4-8,12H,1-3H3,(H,13,14)
InChIKey
PYEQNXVGJRAEIG-UHFFFAOYSA-N
Compound name
tert-butyl N-anilinocarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

208.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.1
[M+Na]+ 231.11041 152.5
[M-H]- 207.11391 150.7
[M+NH4]+ 226.15501 165.5
[M+K]+ 247.08435 151.4
[M+H-H2O]+ 191.11845 140.8
[M+HCOO]- 253.11939 171.2
[M+CH3COO]- 267.13504 189.5
[M+Na-2H]- 229.09586 154.3
[M]+ 208.12064 147.0
[M]- 208.12174 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe