CID 65614

Formetorex

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(CC1=CC=CC=C1)NC=O

InChI

InChI=1S/C10H13NO/c1-9(11-8-12)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,11,12)

InChIKey

SGSYPSYCGPLSML-UHFFFAOYSA-N

Compound name

N-(1-phenylpropan-2-yl)formamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 120
Patents: 163.09972 Da
Monoisotopic Mass: 1.9
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]+	164.10700	135.1
[M+Na]+	186.08894	141.2
[M-H]-	162.09244	138.5
[M+NH4]+	181.13354	155.3
[M+K]+	202.06288	139.4
[M+H-H2O]+	146.09698	128.9
[M+HCOO]-	208.09792	159.8
[M+CH3COO]-	222.11357	181.1
[M+Na-2H]-	184.07439	141.8
[M]+	163.09917	134.7
[M]-	163.10027	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe