CID 51358357

361440-67-7

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(C)(C)OC(=O)N1[C@H]2C[C@H]2C[C@H]1C(=O)N
InChI
InChI=1S/C11H18N2O3/c1-11(2,3)16-10(15)13-7-4-6(7)5-8(13)9(12)14/h6-8H,4-5H2,1-3H3,(H2,12,14)/t6-,7-,8-/m0/s1
InChIKey
VLAGXRRGXCNITB-FXQIFTODSA-N
Compound name
tert-butyl (1S,3S,5S)-3-carbamoyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

226.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.13902 152.0
[M+Na]+ 249.12096 160.3
[M+NH4]+ 244.16556 158.6
[M+K]+ 265.09490 160.9
[M-H]- 225.12446 157.4
[M+Na-2H]- 247.10641 154.9
[M]+ 226.13119 155.4
[M]- 226.13229 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe