CID 139026434

Tert-butyl 4-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1CC2(CC1C2)N
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-6-10(11)4-7(12)5-10/h7H,4-6,11H2,1-3H3
InChIKey
FQLACRHRFMGHJC-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

198.13683 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 158.3
[M+Na]+ 221.12605 163.5
[M-H]- 197.12955 157.8
[M+NH4]+ 216.17065 178.5
[M+K]+ 237.09999 165.5
[M+H-H2O]+ 181.13409 151.2
[M+HCOO]- 243.13503 173.1
[M+CH3COO]- 257.15068 190.7
[M+Na-2H]- 219.11150 163.7
[M]+ 198.13628 170.6
[M]- 198.13738 170.6
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