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 156.3
[M+Na]+ 246.14645 163.8
[M-H]- 222.14995 157.9
[M+NH4]+ 241.19105 174.1
[M+K]+ 262.12039 160.3
[M+H-H2O]+ 206.15449 146.0
[M+HCOO]- 268.15543 168.8
[M+CH3COO]- 282.17108 197.9
[M+Na-2H]- 244.13190 158.1
[M]+ 223.15668 147.8
[M]- 223.15778 147.8
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.