CID 3863026

1048640-39-6

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

CC(C1=CC=CC=C1)NCC2CC2

InChI

InChI=1S/C12H17N/c1-10(13-9-11-7-8-11)12-5-3-2-4-6-12/h2-6,10-11,13H,7-9H2,1H3

InChIKey

DBZLFDOJZXGGBF-UHFFFAOYSA-N

Compound name

N-(cyclopropylmethyl)-1-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 175.1361 Da
Monoisotopic Mass: 2.4
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]+	176.143376	136.0
[M+Na]+	198.125318	143.0
[M-H]-	174.128824	143.2
[M+NH4]+	193.169923	151.0
[M+K]+	214.099258	140.2
[M+H-H2O]+	158.133360	129.1
[M+HCOO]-	220.134301	160.4
[M+CH3COO]-	234.149951	187.7
[M+Na-2H]-	196.110766	142.6
[M]+	175.13555142	136.8
[M]-	175.13664858	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe