CID 19261463

(1,2,3,4-tetrahydroisoquinolin-4-yl)methanol hydrochloride

Structural Information

Molecular Formula
C10H13NO
SMILES
C1C(C2=CC=CC=C2CN1)CO
InChI
InChI=1S/C10H13NO/c12-7-9-6-11-5-8-3-1-2-4-10(8)9/h1-4,9,11-12H,5-7H2
InChIKey
YQDVXSZMLVXACO-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinolin-4-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

163.09972 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 134.2
[M+Na]+ 186.088938 140.7
[M-H]- 162.092444 134.1
[M+NH4]+ 181.133543 153.2
[M+K]+ 202.062878 136.7
[M+H-H2O]+ 146.096980 128.1
[M+HCOO]- 208.097921 151.4
[M+CH3COO]- 222.113571 145.9
[M+Na-2H]- 184.074386 141.6
[M]+ 163.09917142 129.0
[M]- 163.10026858 129.0
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