CID 165998073

Tert-butyl n-{2-[3-(hydroxymethyl)oxetan-3-yl]ethyl}carbamate

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C)(C)OC(=O)NCCC1(COC1)CO
InChI
InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-5-4-11(6-13)7-15-8-11/h13H,4-8H2,1-3H3,(H,12,14)
InChIKey
IMLJXCLGWGTFQM-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[3-(hydroxymethyl)oxetan-3-yl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 155.3
[M+Na]+ 254.13628 158.1
[M-H]- 230.13978 157.5
[M+NH4]+ 249.18088 166.3
[M+K]+ 270.11022 162.2
[M+H-H2O]+ 214.14432 145.5
[M+HCOO]- 276.14526 172.7
[M+CH3COO]- 290.16091 191.6
[M+Na-2H]- 252.12173 160.7
[M]+ 231.14651 165.8
[M]- 231.14761 165.8
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.