CID 83350388

1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinolin-6-ol hydrobromide

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)C1C2=C(CCN1)C=C(C=C2)O
InChI
InChI=1S/C12H17NO/c1-8(2)12-11-4-3-10(14)7-9(11)5-6-13-12/h3-4,7-8,12-14H,5-6H2,1-2H3
InChIKey
LUTQVBJMBDCNNQ-UHFFFAOYSA-N
Compound name
1-propan-2-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.7
[M+Na]+ 214.12023 150.0
[M-H]- 190.12373 143.7
[M+NH4]+ 209.16483 161.8
[M+K]+ 230.09417 146.0
[M+H-H2O]+ 174.12827 137.6
[M+HCOO]- 236.12921 159.1
[M+CH3COO]- 250.14486 181.1
[M+Na-2H]- 212.10568 148.0
[M]+ 191.13046 138.9
[M]- 191.13156 138.9
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.