CID 53991954

(1,2,3,4-tetrahydroisoquinolin-5-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C10H14N2
SMILES
C1CNCC2=C1C(=CC=C2)CN
InChI
InChI=1S/C10H14N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-3,12H,4-7,11H2
InChIKey
KFMLTYWCWVYQIL-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinolin-5-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.11569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.12297 134.3
[M+Na]+ 185.10491 140.4
[M-H]- 161.10841 135.0
[M+NH4]+ 180.14951 153.5
[M+K]+ 201.07885 136.4
[M+H-H2O]+ 145.11295 127.8
[M+HCOO]- 207.11389 153.2
[M+CH3COO]- 221.12954 146.1
[M+Na-2H]- 183.09036 141.5
[M]+ 162.11514 127.8
[M]- 162.11624 127.8
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.