CID 165670079

Tert-butyl n-[4-(but-3-yn-2-yl)cyclohexyl]carbamate

Structural Information

Molecular Formula
C15H25NO2
SMILES
CC(C#C)C1CCC(CC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H25NO2/c1-6-11(2)12-7-9-13(10-8-12)16-14(17)18-15(3,4)5/h1,11-13H,7-10H2,2-5H3,(H,16,17)
InChIKey
TYVXJRZNIQWWKG-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-but-3-yn-2-ylcyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.18852 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.195796 163.9
[M+Na]+ 274.177738 169.3
[M-H]- 250.181244 165.1
[M+NH4]+ 269.222343 178.9
[M+K]+ 290.151678 166.4
[M+H-H2O]+ 234.185780 152.3
[M+HCOO]- 296.186721 175.3
[M+CH3COO]- 310.202371 204.5
[M+Na-2H]- 272.163186 163.4
[M]+ 251.18797142 155.8
[M]- 251.18906858 155.8
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.