CID 6876678

150767-00-3

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)(C)OC(=O)N/N=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-14-9-10-5-7-11(17-4)8-6-10/h5-9H,1-4H3,(H,15,16)/b14-9+
InChIKey
IWKLCYXLUROGIV-NTEUORMPSA-N
Compound name
tert-butyl N-[(E)-(4-methoxyphenyl)methylideneamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

250.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 157.5
[M+Na]+ 273.120958 163.7
[M-H]- 249.124464 162.6
[M+NH4]+ 268.165563 175.1
[M+K]+ 289.094898 163.1
[M+H-H2O]+ 233.129000 150.6
[M+HCOO]- 295.129941 182.9
[M+CH3COO]- 309.145591 199.9
[M+Na-2H]- 271.106406 163.6
[M]+ 250.13119142 161.1
[M]- 250.13228858 161.1
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