CID 10753314

150767-02-5

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)(C)OC(=O)NNCC1=CC=C(C=C1)OC
InChI
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-14-9-10-5-7-11(17-4)8-6-10/h5-8,14H,9H2,1-4H3,(H,15,16)
InChIKey
LAAOJPYAGIBKBK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-methoxyphenyl)methylamino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

252.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 159.0
[M+Na]+ 275.136618 164.3
[M-H]- 251.140124 162.5
[M+NH4]+ 270.181223 175.7
[M+K]+ 291.110558 163.4
[M+H-H2O]+ 235.144660 152.2
[M+HCOO]- 297.145601 182.6
[M+CH3COO]- 311.161251 198.9
[M+Na-2H]- 273.122066 164.5
[M]+ 252.14685142 161.4
[M]- 252.14794858 161.4
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