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]+ 255.097546 152.6
[M+Na]+ 277.079488 158.8
[M-H]- 253.082994 155.5
[M+NH4]+ 272.124093 168.2
[M+K]+ 293.053428 153.8
[M+H-H2O]+ 237.087530 151.4
[M+HCOO]- 299.088471 175.5
[M+CH3COO]- 313.104121 187.2
[M+Na-2H]- 275.064936 159.8
[M]+ 254.08972142 152.3
[M]- 254.09081858 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.