CID 21354845

935655-08-6

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC(C)C1=CC2=C(CNCC2)C=C1

InChI

InChI=1S/C12H17N/c1-9(2)10-3-4-12-8-13-6-5-11(12)7-10/h3-4,7,9,13H,5-6,8H2,1-2H3

InChIKey

SSWUUFFQRQRUNJ-UHFFFAOYSA-N

Compound name

6-propan-2-yl-1,2,3,4-tetrahydroisoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 114
Patents: 175.1361 Da
Monoisotopic Mass: 2.7
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]+	176.14338	139.9
[M+Na]+	198.12532	145.7
[M-H]-	174.12882	141.0
[M+NH4]+	193.16992	159.2
[M+K]+	214.09926	142.1
[M+H-H2O]+	158.13336	133.5
[M+HCOO]-	220.13430	156.7
[M+CH3COO]-	234.14995	180.5
[M+Na-2H]-	196.11077	145.4
[M]+	175.13555	135.2
[M]-	175.13665	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe