CID 63753455

1-cyclopropanecarbonylazetidin-3-amine hydrochloride

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CC1C(=O)N2CC(C2)N

InChI

InChI=1S/C7H12N2O/c8-6-3-9(4-6)7(10)5-1-2-5/h5-6H,1-4,8H2

InChIKey

QEYQLSDFQMDPRE-UHFFFAOYSA-N

Compound name

(3-aminoazetidin-1-yl)-cyclopropylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 140.09496 Da
Monoisotopic Mass: -0.9
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]+	141.102236	130.7
[M+Na]+	163.084178	137.8
[M-H]-	139.087684	136.3
[M+NH4]+	158.128783	139.6
[M+K]+	179.058118	138.6
[M+H-H2O]+	123.092220	118.8
[M+HCOO]-	185.093161	151.4
[M+CH3COO]-	199.108811	182.6
[M+Na-2H]-	161.069626	134.6
[M]+	140.09441142	138.0
[M]-	140.09550858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe