CID 69779860

Tert-butyl (5-hydroxy-2-nitrophenyl)carbamate

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=C1)O)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O5/c1-11(2,3)18-10(15)12-8-6-7(14)4-5-9(8)13(16)17/h4-6,14H,1-3H3,(H,12,15)
InChIKey
LBYWOOGCOYSUOC-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-hydroxy-2-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

254.09027 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 152.8
[M+Na]+ 277.07949 162.8
[M+NH4]+ 272.12409 158.2
[M+K]+ 293.05343 162.5
[M-H]- 253.08299 153.7
[M+Na-2H]- 275.06494 156.6
[M]+ 254.08972 154.0
[M]- 254.09082 154.0
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