CID 37603

37011-98-6

Structural Information

Molecular Formula

C₁₃H₁₇N

SMILES

C1CC1CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C13H17N/c1-2-4-13-10-14(9-11-5-6-11)8-7-12(13)3-1/h1-4,11H,5-10H2

InChIKey

LCCIYXNYIROMFS-UHFFFAOYSA-N

Compound name

2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 187.1361 Da
Monoisotopic Mass: 2.5
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]+	188.143376	144.4
[M+Na]+	210.125318	152.4
[M-H]-	186.128824	150.4
[M+NH4]+	205.169923	158.8
[M+K]+	226.099258	148.4
[M+H-H2O]+	170.133360	136.4
[M+HCOO]-	232.134301	163.9
[M+CH3COO]-	246.149951	156.2
[M+Na-2H]-	208.110766	151.0
[M]+	187.13555142	143.3
[M]-	187.13664858	143.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe