CID 22344747

Tert-butyl n-(5-amino-2-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1)N)OC
InChI
InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-9-7-8(13)5-6-10(9)16-4/h5-7H,13H2,1-4H3,(H,14,15)
InChIKey
AVVCSVAHHQOYFE-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-amino-2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

238.13174 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.139016 154.6
[M+Na]+ 261.120958 161.4
[M-H]- 237.124464 158.2
[M+NH4]+ 256.165563 172.0
[M+K]+ 277.094898 160.4
[M+H-H2O]+ 221.129000 148.4
[M+HCOO]- 283.129941 177.9
[M+CH3COO]- 297.145591 196.6
[M+Na-2H]- 259.106406 158.9
[M]+ 238.13119142 156.1
[M]- 238.13228858 156.1
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