CID 63106937

1-cyclopropanecarbonylazetidin-3-ol

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CC1C(=O)N2CC(C2)O

InChI

InChI=1S/C7H11NO2/c9-6-3-8(4-6)7(10)5-1-2-5/h5-6,9H,1-4H2

InChIKey

LKBLEHCIVRZECD-UHFFFAOYSA-N

Compound name

cyclopropyl-(3-hydroxyazetidin-1-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 141.07898 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]+	142.08626	129.0
[M+Na]+	164.06820	136.6
[M-H]-	140.07170	133.9
[M+NH4]+	159.11280	137.8
[M+K]+	180.04214	137.3
[M+H-H2O]+	124.07624	117.8
[M+HCOO]-	186.07718	148.2
[M+CH3COO]-	200.09283	178.3
[M+Na-2H]-	162.05365	133.3
[M]+	141.07843	137.6
[M]-	141.07953	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe