CID 20844

3,4-dihydro-1-methyl-6,7-isoquinolinediol hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC1=NCCC2=CC(=C(C=C12)O)O
InChI
InChI=1S/C10H11NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-5,12-13H,2-3H2,1H3
InChIKey
DWHSGRLKLUGKOU-UHFFFAOYSA-N
Compound name
1-methyl-3,4-dihydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

96
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.7
[M+Na]+ 200.06820 145.1
[M-H]- 176.07170 136.9
[M+NH4]+ 195.11280 154.9
[M+K]+ 216.04214 141.5
[M+H-H2O]+ 160.07624 130.0
[M+HCOO]- 222.07718 154.6
[M+CH3COO]- 236.09283 177.1
[M+Na-2H]- 198.05365 142.7
[M]+ 177.07843 134.3
[M]- 177.07953 134.3
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