CID 6424833

7-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CNCC2=C1C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
InChIKey
YPRWYZSUBZXORL-UHFFFAOYSA-N
Compound name
7-nitro-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

820
Patents

178.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.7
[M+Na]+ 201.06345 139.6
[M-H]- 177.06695 135.1
[M+NH4]+ 196.10805 151.7
[M+K]+ 217.03739 132.6
[M+H-H2O]+ 161.07149 131.8
[M+HCOO]- 223.07243 153.7
[M+CH3COO]- 237.08808 171.8
[M+Na-2H]- 199.04890 143.2
[M]+ 178.07368 127.5
[M]- 178.07478 127.5
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