CID 138040883

2490401-59-5

Structural Information

Molecular Formula
C13H22N2O4
SMILES
CC(C)(C)OC(=O)NCC12CC(C1)(C3(O2)COC3)N
InChI
InChI=1S/C13H22N2O4/c1-10(2,3)18-9(16)15-6-11-4-12(14,5-11)13(19-11)7-17-8-13/h4-8,14H2,1-3H3,(H,15,16)
InChIKey
XAOSQLZUSNKBRV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-aminospiro[2-oxabicyclo[2.1.1]hexane-3,3'-oxetane]-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.15796 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.16524 172.2
[M+Na]+ 293.14718 173.1
[M-H]- 269.15068 176.3
[M+NH4]+ 288.19178 183.5
[M+K]+ 309.12112 179.3
[M+H-H2O]+ 253.15522 163.1
[M+HCOO]- 315.15616 183.6
[M+CH3COO]- 329.17181 210.4
[M+Na-2H]- 291.13263 179.5
[M]+ 270.15741 192.8
[M]- 270.15851 192.8
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.