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 149.2
[M+Na]+ 259.06893 159.4
[M+NH4]+ 254.11353 157.1
[M+K]+ 275.04287 157.8
[M-H]- 235.07243 149.6
[M+Na-2H]- 257.05438 153.1
[M]+ 236.07916 150.4
[M]- 236.08026 150.4
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.