CID 746071

3-(hydroxyimino)-5-methoxy-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C9H8N2O3
SMILES
COC1=CC2=C(C=C1)NC(=C2N=O)O
InChI
InChI=1S/C9H8N2O3/c1-14-5-2-3-7-6(4-5)8(11-13)9(12)10-7/h2-4,10,12H,1H3
InChIKey
QFJMAJZTMLXACD-UHFFFAOYSA-N
Compound name
5-methoxy-3-nitroso-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

192.0535 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 134.8
[M+Na]+ 215.04272 146.1
[M-H]- 191.04622 138.2
[M+NH4]+ 210.08732 155.6
[M+K]+ 231.01666 143.4
[M+H-H2O]+ 175.05076 128.9
[M+HCOO]- 237.05170 160.6
[M+CH3COO]- 251.06735 182.2
[M+Na-2H]- 213.02817 142.7
[M]+ 192.05295 138.5
[M]- 192.05405 138.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe