CID 67966002

3-nitroazetidine hydrochloride

Structural Information

Molecular Formula

C₃H₆N₂O₂

SMILES

C1C(CN1)[N+](=O)[O-]

InChI

InChI=1S/C3H6N2O2/c6-5(7)3-1-4-2-3/h3-4H,1-2H2

InChIKey

HUDBUXGVPZKSKH-UHFFFAOYSA-N

Compound name

3-nitroazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 102.04293 Da
Monoisotopic Mass: -0.6
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]+	103.05021	113.4
[M+Na]+	125.03215	118.6
[M-H]-	101.03565	114.4
[M+NH4]+	120.07675	127.1
[M+K]+	141.00609	117.7
[M+H-H2O]+	85.040190	107.1
[M+HCOO]-	147.04113	135.0
[M+CH3COO]-	161.05678	161.2
[M+Na-2H]-	123.01760	122.2
[M]+	102.04238	116.9
[M]-	102.04348	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe