CID 124759397

1932279-32-7

Structural Information

Molecular Formula
C12H19NO2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)C#C
InChI
InChI=1S/C12H19NO2/c1-5-9-6-7-10(8-9)13-11(14)15-12(2,3)4/h1,9-10H,6-8H2,2-4H3,(H,13,14)/t9-,10+/m0/s1
InChIKey
DTHXBYFRDCALDU-VHSXEESVSA-N
Compound name
tert-butyl N-[(1R,3S)-3-ethynylcyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.14159 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.2
[M+Na]+ 232.13081 156.6
[M+NH4]+ 227.17541 152.6
[M+K]+ 248.10475 150.9
[M-H]- 208.13431 141.2
[M+Na-2H]- 230.11626 148.9
[M]+ 209.14104 146.9
[M]- 209.14214 146.9
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.