CID 137951576

2174007-89-5

Structural Information

Molecular Formula
C12H21NO4
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(CO2)CO
InChI
InChI=1S/C12H21NO4/c1-10(2,3)17-9(15)13-6-12-4-11(5-12,7-14)8-16-12/h14H,4-8H2,1-3H3,(H,13,15)
InChIKey
OYVPBXQCMHWRMT-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

243.14706 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 154.1
[M+Na]+ 266.13628 154.0
[M+NH4]+ 261.18088 159.9
[M+K]+ 282.11022 153.2
[M-H]- 242.13978 148.2
[M+Na-2H]- 264.12173 150.2
[M]+ 243.14651 151.1
[M]- 243.14761 151.1
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

patents stripe