CID 11129403

Tert-butyl (1s,5r)-1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C1)N
InChI
InChI=1S/C10H18N2O2/c1-9(2,3)14-8(13)12-5-7-4-10(7,11)6-12/h7H,4-6,11H2,1-3H3/t7-,10-/m0/s1
InChIKey
RYGHDJBBUKJALE-XVKPBYJWSA-N
Compound name
tert-butyl (1R,5S)-1-amino-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.13683 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 148.6
[M+Na]+ 221.126048 157.8
[M-H]- 197.129554 152.2
[M+NH4]+ 216.170653 166.3
[M+K]+ 237.099988 155.6
[M+H-H2O]+ 181.134090 144.3
[M+HCOO]- 243.135031 167.2
[M+CH3COO]- 257.150681 188.1
[M+Na-2H]- 219.111496 153.3
[M]+ 198.13628142 151.1
[M]- 198.13737858 151.1
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

No patent data available for this compound.