CID 155978502

2624108-91-2

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@H]([C@@H]1C2)NC
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-8-5-9(13-4)10(14)6-8/h8-10,13H,5-7H2,1-4H3/t8-,9+,10-/m0/s1
InChIKey
UOSKCETVVXHXRZ-AEJSXWLSSA-N
Compound name
tert-butyl (1S,4S,6R)-6-(methylamino)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.175396 156.9
[M+Na]+ 249.157338 162.9
[M-H]- 225.160844 158.4
[M+NH4]+ 244.201943 179.1
[M+K]+ 265.131278 161.8
[M+H-H2O]+ 209.165380 152.2
[M+HCOO]- 271.166321 174.9
[M+CH3COO]- 285.181971 192.6
[M+Na-2H]- 247.142786 158.7
[M]+ 226.16757142 157.1
[M]- 226.16866858 157.1
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.