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]+ 199.144106 158.3
[M+Na]+ 221.126048 163.5
[M-H]- 197.129554 157.8
[M+NH4]+ 216.170653 178.5
[M+K]+ 237.099988 165.5
[M+H-H2O]+ 181.134090 151.2
[M+HCOO]- 243.135031 173.1
[M+CH3COO]- 257.150681 190.7
[M+Na-2H]- 219.111496 163.7
[M]+ 198.13628142 170.6
[M]- 198.13737858 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