CID 82232500

1266995-10-1

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)(C)OC(=O)NCCC1=CC(=C(C=C1)O)N
InChI
InChI=1S/C13H20N2O3/c1-13(2,3)18-12(17)15-7-6-9-4-5-11(16)10(14)8-9/h4-5,8,16H,6-7,14H2,1-3H3,(H,15,17)
InChIKey
IFGYSZZPOWGGBD-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(3-amino-4-hydroxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

252.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 159.6
[M+Na]+ 275.13662 165.5
[M-H]- 251.14012 161.6
[M+NH4]+ 270.18122 175.7
[M+K]+ 291.11056 163.4
[M+H-H2O]+ 235.14466 153.4
[M+HCOO]- 297.14560 181.0
[M+CH3COO]- 311.16125 197.2
[M+Na-2H]- 273.12207 162.9
[M]+ 252.14685 159.5
[M]- 252.14795 159.5
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