CID 11586455

1403766-80-2

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2N
InChI
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-6-4-7(12)8(6)11/h6-8H,4-5,11H2,1-3H3/t6-,7-,8+/m0/s1
InChIKey
MVDURHAWUZLLLY-BIIVOSGPSA-N
Compound name
tert-butyl (1S,4S,5R)-5-amino-2-azabicyclo[2.1.1]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

198.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 157.1
[M+Na]+ 221.126048 162.0
[M-H]- 197.129554 156.6
[M+NH4]+ 216.170653 175.6
[M+K]+ 237.099988 164.4
[M+H-H2O]+ 181.134090 149.4
[M+HCOO]- 243.135031 171.9
[M+CH3COO]- 257.150681 192.3
[M+Na-2H]- 219.111496 160.8
[M]+ 198.13628142 169.4
[M]- 198.13737858 169.4
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.