CID 117698055

1357351-98-4

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(CC1CO2)CN
InChI
InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-7-11(6-12)4-8(13)5-15-11/h8H,4-7,12H2,1-3H3
InChIKey
NROFQLXUAGEBRC-UHFFFAOYSA-N
Compound name
tert-butyl 1-(aminomethyl)-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

228.1474 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 151.4
[M+Na]+ 251.13662 156.9
[M+NH4]+ 246.18122 159.3
[M+K]+ 267.11056 156.3
[M-H]- 227.14012 150.4
[M+Na-2H]- 249.12207 151.5
[M]+ 228.14685 151.5
[M]- 228.14795 151.5
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