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

literature stripe

Patent stripe

patents stripe