CID 155822501

2503209-17-2

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)OC(=O)NC1(CC2(C1)CCCCC2)C#C
InChI
InChI=1S/C16H25NO2/c1-5-16(17-13(18)19-14(2,3)4)11-15(12-16)9-7-6-8-10-15/h1H,6-12H2,2-4H3,(H,17,18)
InChIKey
IEIODQWRRZLVNS-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-ethynylspiro[3.5]nonan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 165.7
[M+Na]+ 286.17776 171.3
[M-H]- 262.18126 169.2
[M+NH4]+ 281.22236 178.3
[M+K]+ 302.15170 170.1
[M+H-H2O]+ 246.18580 151.5
[M+HCOO]- 308.18674 176.4
[M+CH3COO]- 322.20239 205.9
[M+Na-2H]- 284.16321 168.8
[M]+ 263.18799 165.0
[M]- 263.18909 165.0
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.