CID 58650

101651-81-4

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC(CC1(C2=CC=CC=C2NC1=O)O)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O4/c1-7(13(16)17)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,7,15H,6H2,1H3,(H,12,14)
InChIKey
WIUXNDSUNCYWHC-UHFFFAOYSA-N
Compound name
3-hydroxy-3-(2-nitropropyl)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 148.9
[M+Na]+ 259.06893 155.9
[M-H]- 235.07243 149.8
[M+NH4]+ 254.11353 167.8
[M+K]+ 275.04287 148.7
[M+H-H2O]+ 219.07697 148.3
[M+HCOO]- 281.07791 168.4
[M+CH3COO]- 295.09356 179.3
[M+Na-2H]- 257.05438 155.5
[M]+ 236.07916 145.8
[M]- 236.08026 145.8
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.