CID 44972

Usaf el-107

Structural Information

Molecular Formula
C13H21NO2
SMILES
CC(C)(C)C1CCC(CC1)(C#C)OC(=O)N
InChI
InChI=1S/C13H21NO2/c1-5-13(16-11(14)15)8-6-10(7-9-13)12(2,3)4/h1,10H,6-9H2,2-4H3,(H2,14,15)
InChIKey
YQBAJGLIODBQFB-UHFFFAOYSA-N
Compound name
(4-tert-butyl-1-ethynylcyclohexyl) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.15723 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 151.7
[M+Na]+ 246.14645 159.8
[M+NH4]+ 241.19105 156.4
[M+K]+ 262.12039 151.0
[M-H]- 222.14995 144.3
[M+Na-2H]- 244.13190 153.2
[M]+ 223.15668 149.9
[M]- 223.15778 149.9
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.