CID 18698345

Tert-butyl 4-aminocyclohexane-1-carboxylate

Structural Information

Molecular Formula
C11H21NO2
SMILES
CC(C)(C)OC(=O)C1CCC(CC1)N
InChI
InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9H,4-7,12H2,1-3H3
InChIKey
XDTZRQLZSNTGSM-UHFFFAOYSA-N
Compound name
tert-butyl 4-aminocyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

199.15723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.164506 147.7
[M+Na]+ 222.146448 151.8
[M-H]- 198.149954 150.0
[M+NH4]+ 217.191053 166.5
[M+K]+ 238.120388 151.1
[M+H-H2O]+ 182.154490 142.3
[M+HCOO]- 244.155431 165.7
[M+CH3COO]- 258.171081 186.8
[M+Na-2H]- 220.131896 150.0
[M]+ 199.15668142 143.6
[M]- 199.15777858 143.6
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