CID 6898710

Benzaldehyde (tert-butoxycarbonyl)hydrazone

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC(C)(C)OC(=O)N/N=C/C1=CC=CC=C1
InChI
InChI=1S/C12H16N2O2/c1-12(2,3)16-11(15)14-13-9-10-7-5-4-6-8-10/h4-9H,1-3H3,(H,14,15)/b13-9+
InChIKey
LKKATZANDADGPR-UKTHLTGXSA-N
Compound name
tert-butyl N-[(E)-benzylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

220.12119 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 150.4
[M+Na]+ 243.110408 156.2
[M-H]- 219.113914 155.2
[M+NH4]+ 238.155013 169.0
[M+K]+ 259.084348 155.2
[M+H-H2O]+ 203.118450 143.7
[M+HCOO]- 265.119391 175.9
[M+CH3COO]- 279.135041 193.5
[M+Na-2H]- 241.095856 157.5
[M]+ 220.12064142 151.8
[M]- 220.12173858 151.8
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.