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 153.7
[M+Na]+ 251.13662 160.1
[M-H]- 227.14012 155.3
[M+NH4]+ 246.18122 175.9
[M+K]+ 267.11056 160.4
[M+H-H2O]+ 211.14466 149.9
[M+HCOO]- 273.14560 170.7
[M+CH3COO]- 287.16125 189.5
[M+Na-2H]- 249.12207 158.0
[M]+ 228.14685 154.6
[M]- 228.14795 154.6
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