CID 61016976

Tert-butyl 2-amino-2-cyclohexylacetate

Structural Information

Molecular Formula
C12H23NO2
SMILES
CC(C)(C)OC(=O)C(C1CCCCC1)N
InChI
InChI=1S/C12H23NO2/c1-12(2,3)15-11(14)10(13)9-7-5-4-6-8-9/h9-10H,4-8,13H2,1-3H3
InChIKey
SOPMMEPRLRLVOS-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-2-cyclohexylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.180156 152.7
[M+Na]+ 236.162098 155.2
[M-H]- 212.165604 154.5
[M+NH4]+ 231.206703 170.5
[M+K]+ 252.136038 154.7
[M+H-H2O]+ 196.170140 147.0
[M+HCOO]- 258.171081 169.4
[M+CH3COO]- 272.186731 189.6
[M+Na-2H]- 234.147546 153.8
[M]+ 213.17233142 147.9
[M]- 213.17342858 147.9
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