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

8
Patents

250.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 157.5
[M+Na]+ 273.12096 163.7
[M-H]- 249.12446 162.6
[M+NH4]+ 268.16556 175.1
[M+K]+ 289.09490 163.1
[M+H-H2O]+ 233.12900 150.6
[M+HCOO]- 295.12994 182.9
[M+CH3COO]- 309.14559 199.9
[M+Na-2H]- 271.10641 163.6
[M]+ 250.13119 161.1
[M]- 250.13229 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