CID 126682955

Tert-butyl n-[4-(prop-2-yn-1-yl)cyclohexyl]carbamate

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC(C)(C)OC(=O)NC1CCC(CC1)CC#C
InChI
InChI=1S/C14H23NO2/c1-5-6-11-7-9-12(10-8-11)15-13(16)17-14(2,3)4/h1,11-12H,6-10H2,2-4H3,(H,15,16)
InChIKey
ZHEBRDTYNKREON-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-prop-2-ynylcyclohexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

237.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 159.4
[M+Na]+ 260.162098 165.4
[M-H]- 236.165604 160.7
[M+NH4]+ 255.206703 175.0
[M+K]+ 276.136038 162.3
[M+H-H2O]+ 220.170140 147.8
[M+HCOO]- 282.171081 172.0
[M+CH3COO]- 296.186731 201.0
[M+Na-2H]- 258.147546 160.5
[M]+ 237.17233142 151.6
[M]- 237.17342858 151.6
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

patents stripe