CID 24274

1-nitrosoindoline

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1CN(C2=CC=CC=C21)N=O
InChI
InChI=1S/C8H8N2O/c11-9-10-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2
InChIKey
QVXPAHMYCSEIMA-UHFFFAOYSA-N
Compound name
1-nitroso-2,3-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

43
Patents

148.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 126.1
[M+Na]+ 171.05288 135.1
[M-H]- 147.05638 130.9
[M+NH4]+ 166.09748 149.4
[M+K]+ 187.02682 133.7
[M+H-H2O]+ 131.06092 119.6
[M+HCOO]- 193.06186 152.0
[M+CH3COO]- 207.07751 178.4
[M+Na-2H]- 169.03833 134.8
[M]+ 148.06311 126.6
[M]- 148.06421 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