CID 118257522

1802048-96-9

Structural Information

Molecular Formula

C₉H₁₈N₂O₃

SMILES

CC(C)(C)OC(=O)NC1(COC1)CN

InChI

InChI=1S/C9H18N2O3/c1-8(2,3)14-7(12)11-9(4-10)5-13-6-9/h4-6,10H2,1-3H3,(H,11,12)

InChIKey

STTUTVYCMUOETH-UHFFFAOYSA-N

Compound name

tert-butyl N-[3-(aminomethyl)oxetan-3-yl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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	154.0
[M+NH4]+	220.16556	155.0
[M+K]+	241.09490	151.6
[M-H]-	201.12446	149.9
[M+Na-2H]-	223.10641	152.5
[M]+	202.13119	150.2
[M]-	202.13229	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe