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

8
Patents

243.14706 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.154336 166.5
[M+Na]+ 266.136278 170.2
[M-H]- 242.139784 166.5
[M+NH4]+ 261.180883 186.0
[M+K]+ 282.110218 172.8
[M+H-H2O]+ 226.144320 161.2
[M+HCOO]- 288.145261 180.2
[M+CH3COO]- 302.160911 194.8
[M+Na-2H]- 264.121726 174.9
[M]+ 243.14651142 181.4
[M]- 243.14760858 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