CID 165997333

2-nitroso-1,2,3,4-tetrahydroisoquinolin-6-ol

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CN(CC2=C1C=C(C=C2)O)N=O
InChI
InChI=1S/C9H10N2O2/c12-9-2-1-8-6-11(10-13)4-3-7(8)5-9/h1-2,5,12H,3-4,6H2
InChIKey
OONFMUOHFJQHTN-UHFFFAOYSA-N
Compound name
2-nitroso-3,4-dihydro-1H-isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.9
[M+Na]+ 201.06345 141.9
[M-H]- 177.06695 137.1
[M+NH4]+ 196.10805 153.5
[M+K]+ 217.03739 139.8
[M+H-H2O]+ 161.07149 127.0
[M+HCOO]- 223.07243 155.8
[M+CH3COO]- 237.08808 182.4
[M+Na-2H]- 199.04890 142.5
[M]+ 178.07368 132.4
[M]- 178.07478 132.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.