CID 73554561

1823258-42-9

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)12-7-5-4-6-8(14)9(7)13(16)17/h4-6,14H,1-3H3,(H,12,15)
InChIKey
CQQNHNQDDSHRPK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxy-2-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 152.6
[M+Na]+ 277.07949 158.8
[M-H]- 253.08299 155.5
[M+NH4]+ 272.12409 168.2
[M+K]+ 293.05343 153.8
[M+H-H2O]+ 237.08753 151.4
[M+HCOO]- 299.08847 175.5
[M+CH3COO]- 313.10412 187.2
[M+Na-2H]- 275.06494 159.8
[M]+ 254.08972 152.3
[M]- 254.09082 152.3
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

No patent data available for this compound.