CID 12276866

2-nitroso-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H10N2O
SMILES
C1CN(CC2=CC=CC=C21)N=O
InChI
InChI=1S/C9H10N2O/c12-10-11-6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7H2
InChIKey
SOAWVSWBUWHPOP-UHFFFAOYSA-N
Compound name
2-nitroso-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

162.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 130.3
[M+Na]+ 185.06854 137.8
[M-H]- 161.07204 134.5
[M+NH4]+ 180.11314 151.0
[M+K]+ 201.04248 136.2
[M+H-H2O]+ 145.07658 123.1
[M+HCOO]- 207.07752 153.6
[M+CH3COO]- 221.09317 181.8
[M+Na-2H]- 183.05399 140.1
[M]+ 162.07877 128.9
[M]- 162.07987 128.9
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