CID 35348

30451-35-5

Structural Information

Molecular Formula

C₁₅H₁₇N

SMILES

CC1CCC2=CN(C=C2C1)C3=CC=CC=C3

InChI

InChI=1S/C15H17N/c1-12-7-8-13-10-16(11-14(13)9-12)15-5-3-2-4-6-15/h2-6,10-12H,7-9H2,1H3

InChIKey

GSBAHFYOPQABGR-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyl-4,5,6,7-tetrahydroisoindole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.1361 Da
Monoisotopic Mass: 4.0
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]+	212.143376	148.1
[M+Na]+	234.125318	155.6
[M-H]-	210.128824	154.1
[M+NH4]+	229.169923	168.4
[M+K]+	250.099258	151.0
[M+H-H2O]+	194.133360	140.5
[M+HCOO]-	256.134301	168.7
[M+CH3COO]-	270.149951	160.8
[M+Na-2H]-	232.110766	152.4
[M]+	211.13555142	145.4
[M]-	211.13664858	145.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.