CID 3073295

Benzenemethanamine, n-methyl-alpha-((2,3,3-trimethyl-1-cyclopenten-1-yl)methyl)-, hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₅N

SMILES

CC1=C(CCC1(C)C)CC(C2=CC=CC=C2)NC

InChI

InChI=1S/C17H25N/c1-13-15(10-11-17(13,2)3)12-16(18-4)14-8-6-5-7-9-14/h5-9,16,18H,10-12H2,1-4H3

InChIKey

OZQHQUQZDVVKDB-UHFFFAOYSA-N

Compound name

N-methyl-1-phenyl-2-(2,3,3-trimethylcyclopenten-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.1987 Da
Monoisotopic Mass: 3.6
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]+	244.205976	159.7
[M+Na]+	266.187918	165.7
[M-H]-	242.191424	166.3
[M+NH4]+	261.232523	180.9
[M+K]+	282.161858	162.0
[M+H-H2O]+	226.195960	153.3
[M+HCOO]-	288.196901	182.6
[M+CH3COO]-	302.212551	198.8
[M+Na-2H]-	264.173366	161.6
[M]+	243.19815142	158.9
[M]-	243.19924858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.