CID 65494972

Tert-butyl (3s)-3-(aminomethyl)-5-methylhexanoate hydrochloride

Structural Information

Molecular Formula
C12H25NO2
SMILES
CC(C)C[C@@H](CC(=O)OC(C)(C)C)CN
InChI
InChI=1S/C12H25NO2/c1-9(2)6-10(8-13)7-11(14)15-12(3,4)5/h9-10H,6-8,13H2,1-5H3/t10-/m0/s1
InChIKey
POJOFZKIWCCJAO-JTQLQIEISA-N
Compound name
tert-butyl (3S)-3-(aminomethyl)-5-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.18852 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.195796 156.1
[M+Na]+ 238.177738 160.2
[M-H]- 214.181244 155.3
[M+NH4]+ 233.222343 174.4
[M+K]+ 254.151678 160.2
[M+H-H2O]+ 198.185780 151.0
[M+HCOO]- 260.186721 174.5
[M+CH3COO]- 274.202371 194.0
[M+Na-2H]- 236.163186 156.1
[M]+ 215.18797142 157.4
[M]- 215.18906858 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.