CID 12710701

2-nitroso-2,3-dihydro-1h-isoindole

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1C2=CC=CC=C2CN1N=O
InChI
InChI=1S/C8H8N2O/c11-9-10-5-7-3-1-2-4-8(7)6-10/h1-4H,5-6H2
InChIKey
DDCSCPRXCTVGSD-UHFFFAOYSA-N
Compound name
2-nitroso-1,3-dihydroisoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 128.0
[M+Na]+ 171.05288 140.2
[M+NH4]+ 166.09748 137.5
[M+K]+ 187.02682 135.3
[M-H]- 147.05638 130.7
[M+Na-2H]- 169.03833 134.8
[M]+ 148.06311 130.3
[M]- 148.06421 130.3
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