CID 5287550

Ru79073

Structural Information

Molecular Formula
C9H12NO4P
SMILES
C1CC2=C(C(=CC=C2)OP(=O)(O)O)NC1
InChI
InChI=1S/C9H12NO4P/c11-15(12,13)14-8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2,(H2,11,12,13)
InChIKey
NSJSAHCLJYVEDM-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinolin-8-yl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

229.0504 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05768 149.5
[M+Na]+ 252.03962 155.5
[M-H]- 228.04312 147.0
[M+NH4]+ 247.08422 165.3
[M+K]+ 268.01356 152.5
[M+H-H2O]+ 212.04766 141.3
[M+HCOO]- 274.04860 169.6
[M+CH3COO]- 288.06425 180.6
[M+Na-2H]- 250.02507 153.8
[M]+ 229.04985 146.3
[M]- 229.05095 146.3
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