CID 54458676

N-[(oxiran-2-yl)methyl]naphthalen-1-amine

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1C(O1)CNC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C13H13NO/c1-2-6-12-10(4-1)5-3-7-13(12)14-8-11-9-15-11/h1-7,11,14H,8-9H2

InChIKey

XAAQUYNDCDCWBJ-UHFFFAOYSA-N

Compound name

N-(oxiran-2-ylmethyl)naphthalen-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 199.09972 Da
Monoisotopic Mass: 2.6
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]+	200.10700	144.2
[M+Na]+	222.08894	160.0
[M+NH4]+	217.13354	154.9
[M+K]+	238.06288	153.4
[M-H]-	198.09244	157.9
[M+Na-2H]-	220.07439	155.5
[M]+	199.09917	151.6
[M]-	199.10027	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe