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 166.5
[M+Na]+ 266.13628 170.2
[M-H]- 242.13978 166.5
[M+NH4]+ 261.18088 186.0
[M+K]+ 282.11022 172.8
[M+H-H2O]+ 226.14432 161.2
[M+HCOO]- 288.14526 180.2
[M+CH3COO]- 302.16091 194.8
[M+Na-2H]- 264.12173 174.9
[M]+ 243.14651 181.4
[M]- 243.14761 181.4
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