CID 119010

5,6,7,8-tetrahydroisoquinoline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CCC2=C(C1)C=CN=C2

InChI

InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h5-7H,1-4H2

InChIKey

HTMGQIXFZMZZKD-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 10087
Patents: 133.08914 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	134.096416	125.2
[M+Na]+	156.078358	132.0
[M-H]-	132.081864	127.8
[M+NH4]+	151.122963	146.6
[M+K]+	172.052298	129.7
[M+H-H2O]+	116.086400	118.7
[M+HCOO]-	178.087341	145.6
[M+CH3COO]-	192.102991	138.6
[M+Na-2H]-	154.063806	134.8
[M]+	133.08859142	121.5
[M]-	133.08968858	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe