CID 58168711

Methyl[(1-phenylcyclopropyl)methyl]amine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CNCC1(CC1)C2=CC=CC=C2

InChI

InChI=1S/C11H15N/c1-12-9-11(7-8-11)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3

InChIKey

QUSKKGMGXJUTKR-UHFFFAOYSA-N

Compound name

N-methyl-1-(1-phenylcyclopropyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 161.12045 Da
Monoisotopic Mass: 2.0
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]+	162.12773	133.1
[M+Na]+	184.10967	141.5
[M-H]-	160.11317	140.8
[M+NH4]+	179.15427	150.6
[M+K]+	200.08361	139.4
[M+H-H2O]+	144.11771	127.2
[M+HCOO]-	206.11865	158.3
[M+CH3COO]-	220.13430	183.6
[M+Na-2H]-	182.09512	142.2
[M]+	161.11990	134.5
[M]-	161.12100	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe