CID 165698394

En300-1886321

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC1(CCCCC1)C(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H28N2O2/c1-13(2,3)18-12(17)16-11(10-15)14(4)8-6-5-7-9-14/h11H,5-10,15H2,1-4H3,(H,16,17)
InChIKey
PDPXJQQAQRHGDA-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-1-(1-methylcyclohexyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.2151 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 163.9
[M+Na]+ 279.20432 169.4
[M+NH4]+ 274.24892 171.4
[M+K]+ 295.17826 164.0
[M-H]- 255.20782 164.3
[M+Na-2H]- 277.18977 167.4
[M]+ 256.21455 164.5
[M]- 256.21565 164.5
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.