CID 23493

Nitrosocarbaryl

Structural Information

Molecular Formula

C₁₂H₁₀N₂O₃

SMILES

CN(C(=O)OC1=CC=CC2=CC=CC=C21)N=O

InChI

InChI=1S/C12H10N2O3/c1-14(13-16)12(15)17-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3

InChIKey

FFSXTYIBUNXZMF-UHFFFAOYSA-N

Compound name

naphthalen-1-yl N-methyl-N-nitrosocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 15
References: 27
Patents: 230.06914 Da
Monoisotopic Mass: 2.8
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]+	231.07642	147.7
[M+Na]+	253.05836	160.0
[M+NH4]+	248.10296	156.0
[M+K]+	269.03230	154.0
[M-H]-	229.06186	151.4
[M+Na-2H]-	251.04381	155.4
[M]+	230.06859	150.3
[M]-	230.06969	150.3

Literature stripe

literature stripe

Patent stripe

patents stripe