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]+ 232.154336 155.3
[M+Na]+ 254.136278 158.1
[M-H]- 230.139784 157.5
[M+NH4]+ 249.180883 166.3
[M+K]+ 270.110218 162.2
[M+H-H2O]+ 214.144320 145.5
[M+HCOO]- 276.145261 172.7
[M+CH3COO]- 290.160911 191.6
[M+Na-2H]- 252.121726 160.7
[M]+ 231.14651142 165.8
[M]- 231.14760858 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.