CID 155820457

2567504-96-3

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CNC)O
InChI
InChI=1S/C10H20N2O3/c1-9(2,3)15-8(13)12-6-10(14,7-12)5-11-4/h11,14H,5-7H2,1-4H3
InChIKey
VSJCETCLWFQHAI-UHFFFAOYSA-N
Compound name
tert-butyl 3-hydroxy-3-(methylaminomethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.1474 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.154676 154.5
[M+Na]+ 239.136618 158.8
[M-H]- 215.140124 155.2
[M+NH4]+ 234.181223 166.4
[M+K]+ 255.110558 161.6
[M+H-H2O]+ 199.144660 144.4
[M+HCOO]- 261.145601 171.6
[M+CH3COO]- 275.161251 190.3
[M+Na-2H]- 237.122066 158.5
[M]+ 216.14685142 163.5
[M]- 216.14794858 163.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.