CID 6587

Nitroethane

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3

InChIKey

MCSAJNNLRCFZED-UHFFFAOYSA-N

Compound name

1-nitroethane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 121
References: 30709
Patents: 75.03203 Da
Monoisotopic Mass: 0.2
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]+	76.039306	108.7
[M+Na]+	98.021248	120.8
[M+NH4]+	93.065853	117.6
[M+K]+	113.99519	118.2
[M-H]-	74.024754	110.0
[M+Na-2H]-	96.006696	113.8
[M]+	75.031481	110.5
[M]-	75.032579	110.5

Literature stripe

literature stripe

Patent stripe

patents stripe