CID 126682955

Schembl18624576

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

16
Patents

237.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 159.4
[M+Na]+ 260.16210 165.4
[M-H]- 236.16560 160.7
[M+NH4]+ 255.20670 175.0
[M+K]+ 276.13604 162.3
[M+H-H2O]+ 220.17014 147.8
[M+HCOO]- 282.17108 172.0
[M+CH3COO]- 296.18673 201.0
[M+Na-2H]- 258.14755 160.5
[M]+ 237.17233 151.6
[M]- 237.17343 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