CID 7046

1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H11N
SMILES
C1CNCC2=CC=CC=C21
InChI
InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
InChIKey
UWYZHKAOTLEWKK-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

570
References

123832
Patents

133.08914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.096416 125.7
[M+Na]+ 156.078358 132.2
[M-H]- 132.081864 126.9
[M+NH4]+ 151.122963 146.4
[M+K]+ 172.052298 128.8
[M+H-H2O]+ 116.086400 119.5
[M+HCOO]- 178.087341 144.6
[M+CH3COO]- 192.102991 138.4
[M+Na-2H]- 154.063806 134.9
[M]+ 133.08859142 120.2
[M]- 133.08968858 120.2
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