CID 155822570

2503207-06-3

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCOCC2)C#C
InChI
InChI=1S/C15H23NO3/c1-5-15(16-12(17)19-13(2,3)4)10-14(11-15)6-8-18-9-7-14/h1H,6-11H2,2-4H3,(H,16,17)
InChIKey
FRYJWIYYGKWRED-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-ethynyl-7-oxaspiro[3.5]nonan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 164.2
[M+Na]+ 288.15702 167.9
[M+NH4]+ 283.20162 166.4
[M+K]+ 304.13096 159.5
[M-H]- 264.16052 156.1
[M+Na-2H]- 286.14247 164.3
[M]+ 265.16725 160.7
[M]- 265.16835 160.7
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.