CID 46942131

Methyl n-(azetidin-3-yl)carbamate hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

COC(=O)NC1CNC1

InChI

InChI=1S/C5H10N2O2/c1-9-5(8)7-4-2-6-3-4/h4,6H,2-3H2,1H3,(H,7,8)

InChIKey

DQAVTPNFFSXYDH-UHFFFAOYSA-N

Compound name

methyl N-(azetidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 130.07423 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]+	131.081506	127.1
[M+Na]+	153.063448	131.5
[M-H]-	129.066954	127.7
[M+NH4]+	148.108053	140.0
[M+K]+	169.037388	134.4
[M+H-H2O]+	113.071490	115.6
[M+HCOO]-	175.072431	147.2
[M+CH3COO]-	189.088081	173.2
[M+Na-2H]-	151.048896	132.6
[M]+	130.07368142	132.8
[M]-	130.07477858	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe