CID 85943953

1-nitrosoazetidin-3-ol

Structural Information

Molecular Formula

C₃H₆N₂O₂

SMILES

C1C(CN1N=O)O

InChI

InChI=1S/C3H6N2O2/c6-3-1-5(2-3)4-7/h3,6H,1-2H2

InChIKey

YDFUHBCPYVDZOS-UHFFFAOYSA-N

Compound name

1-nitrosoazetidin-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 102.04293 Da
Monoisotopic Mass: -0.7
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]+	103.050206	113.9
[M+Na]+	125.032148	120.7
[M-H]-	101.035654	116.5
[M+NH4]+	120.076753	129.0
[M+K]+	141.006088	124.5
[M+H-H2O]+	85.040190	103.1
[M+HCOO]-	147.041131	137.2
[M+CH3COO]-	161.056781	171.4
[M+Na-2H]-	123.017596	121.8
[M]+	102.04238142	122.0
[M]-	102.04347858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe