CID 135394626

2231674-29-4

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CC1C2)CN
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-7-11(6-12)4-8(13)5-11/h8H,4-7,12H2,1-3H3
InChIKey
VKGVPKSJKMRNNZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

212.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 147.6
[M+Na]+ 235.14170 148.6
[M+NH4]+ 230.18630 152.9
[M+K]+ 251.11564 148.8
[M-H]- 211.14520 141.1
[M+Na-2H]- 233.12715 143.2
[M]+ 212.15193 144.5
[M]- 212.15303 144.5
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