CID 157875

Tmiq

Structural Information

Molecular Formula
C10H13NO3
SMILES
CN1CC(C2=CC(=C(C=C2C1)O)O)O
InChI
InChI=1S/C10H13NO3/c1-11-4-6-2-8(12)9(13)3-7(6)10(14)5-11/h2-3,10,12-14H,4-5H2,1H3
InChIKey
PIJDIPDQQMXWEM-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

195.08954 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.0
[M+Na]+ 218.07876 149.7
[M-H]- 194.08226 140.7
[M+NH4]+ 213.12336 158.9
[M+K]+ 234.05270 146.1
[M+H-H2O]+ 178.08680 135.6
[M+HCOO]- 240.08774 157.0
[M+CH3COO]- 254.10339 178.6
[M+Na-2H]- 216.06421 145.8
[M]+ 195.08899 138.2
[M]- 195.09009 138.2
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.