CID 11097064

Tert-butyl n-[(4-amino-3-methoxyphenyl)methyl]carbamate

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)(C)OC(=O)NCC1=CC(=C(C=C1)N)OC
InChI
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(16)15-8-9-5-6-10(14)11(7-9)17-4/h5-7H,8,14H2,1-4H3,(H,15,16)
InChIKey
PGINQUVNUVLJHB-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-amino-3-methoxyphenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

252.1474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.154676 159.2
[M+Na]+ 275.136618 165.5
[M-H]- 251.140124 162.6
[M+NH4]+ 270.181223 176.1
[M+K]+ 291.110558 164.4
[M+H-H2O]+ 235.144660 152.8
[M+HCOO]- 297.145601 182.2
[M+CH3COO]- 311.161251 199.6
[M+Na-2H]- 273.122066 163.0
[M]+ 252.14685142 161.1
[M]- 252.14794858 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