CID 53883553

Azetidin-3-yl carbamate hydrochloride

Structural Information

Molecular Formula

C₄H₈N₂O₂

SMILES

C1C(CN1)OC(=O)N

InChI

InChI=1S/C4H8N2O2/c5-4(7)8-3-1-6-2-3/h3,6H,1-2H2,(H2,5,7)

InChIKey

GFVNJDIBQYYKGS-UHFFFAOYSA-N

Compound name

azetidin-3-yl carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 116.05858 Da
Monoisotopic Mass: -1.0
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]+	117.065856	123.1
[M+Na]+	139.047798	127.9
[M-H]-	115.051304	123.3
[M+NH4]+	134.092403	136.3
[M+K]+	155.021738	130.7
[M+H-H2O]+	99.055840	111.7
[M+HCOO]-	161.056781	142.9
[M+CH3COO]-	175.072431	170.3
[M+Na-2H]-	137.033246	128.0
[M]+	116.05803142	127.6
[M]-	116.05912858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe