CID 12917014

Nitrocyclopropane

Structural Information

Molecular Formula

SMILES

C1CC1[N+](=O)[O-]

InChI

InChI=1S/C3H5NO2/c5-4(6)3-1-2-3/h3H,1-2H2

InChIKey

SYSLARHICMEYEQ-UHFFFAOYSA-N

Compound name

nitrocyclopropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 456
Patents: 87.03203 Da
Monoisotopic Mass: 0.5
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]+	88.039306	109.1
[M+Na]+	110.02125	118.8
[M-H]-	86.024754	114.4
[M+NH4]+	105.06585	127.4
[M+K]+	125.99519	114.3
[M+H-H2O]+	70.029290	108.7
[M+HCOO]-	132.03023	135.6
[M+CH3COO]-	146.04588	162.2
[M+Na-2H]-	108.00670	119.3
[M]+	87.031481	109.5
[M]-	87.032579	109.5

Literature stripe

literature stripe

Patent stripe

patents stripe