CID 2723779

54398-65-1

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

COC1=CC=C(C=C1)C(C2CC2)N

InChI

InChI=1S/C11H15NO/c1-13-10-6-4-9(5-7-10)11(12)8-2-3-8/h4-8,11H,2-3,12H2,1H3

InChIKey

IVVASFZJFLBRPG-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-methoxyphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 21
Patents: 177.11537 Da
Monoisotopic Mass: 1.5
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]+	178.122646	135.4
[M+Na]+	200.104588	143.7
[M-H]-	176.108094	142.6
[M+NH4]+	195.149193	150.3
[M+K]+	216.078528	140.9
[M+H-H2O]+	160.112630	128.8
[M+HCOO]-	222.113571	159.6
[M+CH3COO]-	236.129221	187.2
[M+Na-2H]-	198.090036	140.7
[M]+	177.11482142	136.7
[M]-	177.11591858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe