CID 131137937

1205749-20-7

Structural Information

Molecular Formula

C₁₁H₁₁N

SMILES

C#CC1=CC2=C(CCNC2)C=C1

InChI

InChI=1S/C11H11N/c1-2-9-3-4-10-5-6-12-8-11(10)7-9/h1,3-4,7,12H,5-6,8H2

InChIKey

UWMUTSGMTQISNJ-UHFFFAOYSA-N

Compound name

7-ethynyl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 157.08914 Da
Monoisotopic Mass: 1.8
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]+	158.09642	138.3
[M+Na]+	180.07836	151.3
[M+NH4]+	175.12296	144.3
[M+K]+	196.05230	140.6
[M-H]-	156.08186	132.8
[M+Na-2H]-	178.06381	141.7
[M]+	157.08859	137.8
[M]-	157.08969	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe