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

0
Patents

198.13683 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 157.1
[M+Na]+ 221.12605 162.0
[M-H]- 197.12955 156.6
[M+NH4]+ 216.17065 175.6
[M+K]+ 237.09999 164.4
[M+H-H2O]+ 181.13409 149.4
[M+HCOO]- 243.13503 171.9
[M+CH3COO]- 257.15068 192.3
[M+Na-2H]- 219.11150 160.8
[M]+ 198.13628 169.4
[M]- 198.13738 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.