CID 200718

Nordeprenyl

Structural Information

Molecular Formula

C₁₂H₁₅N

SMILES

CC(CC1=CC=CC=C1)NCC#C

InChI

InChI=1S/C12H15N/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3

InChIKey

UUFAJPMQSFXDFR-UHFFFAOYSA-N

Compound name

1-phenyl-N-prop-2-ynylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 62
References: 365
Patents: 173.12045 Da
Monoisotopic Mass: 2.3
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]+	174.12773	142.4
[M+Na]+	196.10967	154.0
[M+NH4]+	191.15427	147.7
[M+K]+	212.08361	143.7
[M-H]-	172.11317	137.3
[M+Na-2H]-	194.09512	146.5
[M]+	173.11990	141.8
[M]-	173.12100	141.8

Literature stripe

literature stripe

Patent stripe

patents stripe