CID 145913336

2377034-12-1

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(CCO2)N
InChI
InChI=1S/C12H22N2O3/c1-10(2,3)17-9(15)14-8-12-6-11(13,7-12)4-5-16-12/h4-8,13H2,1-3H3,(H,14,15)
InChIKey
BSKJNFBDOQWSEJ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-amino-2-oxabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 171.1
[M+Na]+ 265.15226 173.4
[M-H]- 241.15576 169.5
[M+NH4]+ 260.19686 187.7
[M+K]+ 281.12620 177.1
[M+H-H2O]+ 225.16030 162.4
[M+HCOO]- 287.16124 181.7
[M+CH3COO]- 301.17689 201.4
[M+Na-2H]- 263.13771 181.7
[M]+ 242.16249 182.4
[M]- 242.16359 182.4
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

No patent data available for this compound.