CID 27135

Nitrosoazetidine

Structural Information

Molecular Formula

SMILES

C1CN(C1)N=O

InChI

InChI=1S/C3H6N2O/c6-4-5-2-1-3-5/h1-3H2

InChIKey

SNKTZBNDUVWOAZ-UHFFFAOYSA-N

Compound name

1-nitrosoazetidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 19
Patents: 86.04801 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]+	87.055286	109.6
[M+Na]+	109.03723	116.2
[M-H]-	85.040734	113.3
[M+NH4]+	104.08183	125.9
[M+K]+	125.01117	120.5
[M+H-H2O]+	69.045270	98.7
[M+HCOO]-	131.04621	134.3
[M+CH3COO]-	145.06186	171.0
[M+Na-2H]-	107.02268	119.0
[M]+	86.047461	117.9
[M]-	86.048559	117.9

Literature stripe

literature stripe

Patent stripe

patents stripe