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 168.1
[M+Na]+ 265.15226 172.1
[M-H]- 241.15576 169.0
[M+NH4]+ 260.19686 187.9
[M+K]+ 281.12620 174.8
[M+H-H2O]+ 225.16030 162.2
[M+HCOO]- 287.16124 183.2
[M+CH3COO]- 301.17689 200.5
[M+Na-2H]- 263.13771 175.4
[M]+ 242.16249 181.9
[M]- 242.16359 181.9
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.