CID 67190932

Schembl1863315

Structural Information

Molecular Formula
C14H28N2O2
SMILES
CC(C)(C)OC(=O)NC(CC1CCCCC1)CN
InChI
InChI=1S/C14H28N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKey
GEZIVXGQHCBQIX-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-cyclohexylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

256.2151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.22238 165.3
[M+Na]+ 279.20432 166.1
[M-H]- 255.20782 166.6
[M+NH4]+ 274.24892 181.1
[M+K]+ 295.17826 165.2
[M+H-H2O]+ 239.21236 158.7
[M+HCOO]- 301.21330 182.4
[M+CH3COO]- 315.22895 200.1
[M+Na-2H]- 277.18977 165.8
[M]+ 256.21455 160.4
[M]- 256.21565 160.4
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