CID 97112320

2230799-86-5

Structural Information

Molecular Formula
C11H20N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C1)N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-8-4-5-11(8,12)7-13/h8H,4-7,12H2,1-3H3/t8-,11-/m0/s1
InChIKey
FZURJTVFRKRXMA-KWQFWETISA-N
Compound name
tert-butyl (1R,5S)-1-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.15248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.15976 152.7
[M+Na]+ 235.14170 157.4
[M-H]- 211.14520 155.0
[M+NH4]+ 230.18630 167.9
[M+K]+ 251.11564 159.4
[M+H-H2O]+ 195.14974 143.2
[M+HCOO]- 257.15068 169.4
[M+CH3COO]- 271.16633 190.8
[M+Na-2H]- 233.12715 155.8
[M]+ 212.15193 159.7
[M]- 212.15303 159.7
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.