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

5
Patents

148.06366 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 126.1
[M+Na]+ 171.052878 135.1
[M-H]- 147.056384 130.9
[M+NH4]+ 166.097483 149.4
[M+K]+ 187.026818 133.7
[M+H-H2O]+ 131.060920 119.6
[M+HCOO]- 193.061861 152.0
[M+CH3COO]- 207.077511 178.4
[M+Na-2H]- 169.038326 134.8
[M]+ 148.06311142 126.6
[M]- 148.06420858 126.6
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