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]+ 216.19580 156.1
[M+Na]+ 238.17774 160.2
[M-H]- 214.18124 155.3
[M+NH4]+ 233.22234 174.4
[M+K]+ 254.15168 160.2
[M+H-H2O]+ 198.18578 151.0
[M+HCOO]- 260.18672 174.5
[M+CH3COO]- 274.20237 194.0
[M+Na-2H]- 236.16319 156.1
[M]+ 215.18797 157.4
[M]- 215.18907 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.