CID 137935487

2248266-39-7

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC1C2(CC(C2)(O1)CNC(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H22N2O3/c1-8-12(13)5-11(6-12,16-8)7-14-9(15)17-10(2,3)4/h8H,5-7,13H2,1-4H3,(H,14,15)
InChIKey
URKJXLNLIVVYHO-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-amino-3-methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 155.6
[M+Na]+ 265.15226 155.3
[M+NH4]+ 260.19686 161.6
[M+K]+ 281.12620 154.5
[M-H]- 241.15576 150.7
[M+Na-2H]- 263.13771 151.8
[M]+ 242.16249 152.9
[M]- 242.16359 152.9
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.