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 164.5
[M+Na]+ 279.20432 166.3
[M-H]- 255.20782 166.1
[M+NH4]+ 274.24892 182.4
[M+K]+ 295.17826 165.8
[M+H-H2O]+ 239.21236 159.2
[M+HCOO]- 301.21330 181.6
[M+CH3COO]- 315.22895 199.6
[M+Na-2H]- 277.18977 166.4
[M]+ 256.21455 160.0
[M]- 256.21565 160.0
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.