CID 84052644

1035351-07-5

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)NCC1(CNC1)O

InChI

InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-6-9(13)4-10-5-9/h10,13H,4-6H2,1-3H3,(H,11,12)

InChIKey

MVFWQSPXPWBTKA-UHFFFAOYSA-N

Compound name

tert-butyl N-[(3-hydroxyazetidin-3-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 202.13174 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]+	203.13902	151.8
[M+Na]+	225.12096	155.2
[M-H]-	201.12446	150.9
[M+NH4]+	220.16556	163.2
[M+K]+	241.09490	157.3
[M+H-H2O]+	185.12900	141.6
[M+HCOO]-	247.12994	167.7
[M+CH3COO]-	261.14559	183.8
[M+Na-2H]-	223.10641	156.3
[M]+	202.13119	158.2
[M]-	202.13229	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe