CID 83225894

Tert-butyl 2-amino-5,5-dimethylhexanoate

Structural Information

Molecular Formula
C12H25NO2
SMILES
CC(C)(C)CCC(C(=O)OC(C)(C)C)N
InChI
InChI=1S/C12H25NO2/c1-11(2,3)8-7-9(13)10(14)15-12(4,5)6/h9H,7-8,13H2,1-6H3
InChIKey
ZWLWKIMBIOMKAZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-5,5-dimethylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.18852 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 154.5
[M+Na]+ 238.17774 159.4
[M-H]- 214.18124 154.2
[M+NH4]+ 233.22234 173.2
[M+K]+ 254.15168 159.5
[M+H-H2O]+ 198.18578 150.2
[M+HCOO]- 260.18672 172.5
[M+CH3COO]- 274.20237 192.9
[M+Na-2H]- 236.16319 156.9
[M]+ 215.18797 156.0
[M]- 215.18907 156.0
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.