CID 125515309

2408937-80-2

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@]2(C1)C#C
InChI
InChI=1S/C13H19NO2/c1-5-13-7-6-10(13)8-14(9-13)11(15)16-12(2,3)4/h1,10H,6-9H2,2-4H3/t10-,13+/m0/s1
InChIKey
IKFCQDLWSRZTHV-GXFFZTMASA-N
Compound name
tert-butyl (1S,5R)-1-ethynyl-3-azabicyclo[3.2.0]heptane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 151.2
[M+Na]+ 244.13081 155.6
[M+NH4]+ 239.17541 152.7
[M+K]+ 260.10475 150.0
[M-H]- 220.13431 140.2
[M+Na-2H]- 242.11626 149.3
[M]+ 221.14104 146.8
[M]- 221.14214 146.8
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.