CID 99930

40027-50-7

Structural Information

Molecular Formula

C₁₃H₁₇NO₂

SMILES

CC1=CC=CC=C1N(CC2CO2)CC3CO3

InChI

InChI=1S/C13H17NO2/c1-10-4-2-3-5-13(10)14(6-11-8-15-11)7-12-9-16-12/h2-5,11-12H,6-9H2,1H3

InChIKey

OVEUFHOBGCSKSH-UHFFFAOYSA-N

Compound name

2-methyl-N,N-bis(oxiran-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5745
Patents: 219.12593 Da
Monoisotopic Mass: 1.8
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]+	220.13321	132.2
[M+Na]+	242.11515	145.9
[M+NH4]+	237.15975	141.2
[M+K]+	258.08909	144.4
[M-H]-	218.11865	151.0
[M+Na-2H]-	240.10060	144.9
[M]+	219.12538	141.5
[M]-	219.12648	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe