CID 165670079

En300-1874312

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]+ 252.19580 163.9
[M+Na]+ 274.17774 169.3
[M-H]- 250.18124 165.1
[M+NH4]+ 269.22234 178.9
[M+K]+ 290.15168 166.4
[M+H-H2O]+ 234.18578 152.3
[M+HCOO]- 296.18672 175.3
[M+CH3COO]- 310.20237 204.5
[M+Na-2H]- 272.16319 163.4
[M]+ 251.18797 155.8
[M]- 251.18907 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.