CID 137951437

Tert-butyl 1-ethynyl-7-azabicyclo[2.2.1]heptane-7-carboxylate

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)(C)OC(=O)N1C2CCC1(CC2)C#C
InChI
InChI=1S/C13H19NO2/c1-5-13-8-6-10(7-9-13)14(13)11(15)16-12(2,3)4/h1,10H,6-9H2,2-4H3
InChIKey
SVBWRVMMLNUNLT-UHFFFAOYSA-N
Compound name
tert-butyl 1-ethynyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

221.14159 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 157.9
[M+Na]+ 244.13081 168.0
[M-H]- 220.13431 158.2
[M+NH4]+ 239.17541 179.7
[M+K]+ 260.10475 162.4
[M+H-H2O]+ 204.13885 147.5
[M+HCOO]- 266.13979 169.7
[M+CH3COO]- 280.15544 194.9
[M+Na-2H]- 242.11626 159.6
[M]+ 221.14104 153.2
[M]- 221.14214 153.2
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

patents stripe