CID 124252648

1932410-93-9

Structural Information

Molecular Formula
C12H17NO2
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(C1)C#C
InChI
InChI=1S/C12H17NO2/c1-5-12-6-9(12)7-13(8-12)10(14)15-11(2,3)4/h1,9H,6-8H2,2-4H3/t9-,12+/m1/s1
InChIKey
AGKAYQWMUSFFPK-SKDRFNHKSA-N
Compound name
tert-butyl (1R,5S)-1-ethynyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 150.8
[M+Na]+ 230.11515 166.7
[M-H]- 206.11865 155.2
[M+NH4]+ 225.15975 168.3
[M+K]+ 246.08909 159.2
[M+H-H2O]+ 190.12319 142.8
[M+HCOO]- 252.12413 165.2
[M+CH3COO]- 266.13978 195.6
[M+Na-2H]- 228.10060 155.8
[M]+ 207.12538 151.1
[M]- 207.12648 151.1
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.