CID 210136

Dtxsid60943308

Structural Information

Molecular Formula
C10H9N3O3
SMILES
CC(=O)N1C2=CC=CC=C2C(=C1N=O)NO
InChI
InChI=1S/C10H9N3O3/c1-6(14)13-8-5-3-2-4-7(8)9(11-15)10(13)12-16/h2-5,11,15H,1H3
InChIKey
PBUGLFUDRMHMKD-UHFFFAOYSA-N
Compound name
1-[3-(hydroxyamino)-2-nitrosoindol-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 142.4
[M+Na]+ 242.053608 152.7
[M-H]- 218.057114 147.1
[M+NH4]+ 237.098213 162.2
[M+K]+ 258.027548 150.6
[M+H-H2O]+ 202.061650 135.7
[M+HCOO]- 264.062591 169.5
[M+CH3COO]- 278.078241 192.3
[M+Na-2H]- 240.039056 149.5
[M]+ 219.06384142 146.1
[M]- 219.06493858 146.1
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