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: 3
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]+	188.14338	143.8
[M+Na]+	210.12532	159.0
[M+NH4]+	205.16992	154.8
[M+K]+	226.09926	151.8
[M-H]-	186.12882	155.3
[M+Na-2H]-	208.11077	154.2
[M]+	187.13555	150.5
[M]-	187.13665	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe