CID 2733825

Tert-butyl (3r)-3-amino-5-methyl-hexanoate

Structural Information

Molecular Formula
C11H23NO2
SMILES
CC(C)C[C@H](CC(=O)OC(C)(C)C)N
InChI
InChI=1S/C11H23NO2/c1-8(2)6-9(12)7-10(13)14-11(3,4)5/h8-9H,6-7,12H2,1-5H3/t9-/m1/s1
InChIKey
WBOPVTYXLFEVGP-SECBINFHSA-N
Compound name
tert-butyl (3R)-3-amino-5-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

201.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.18016 151.4
[M+Na]+ 224.16210 155.9
[M-H]- 200.16560 150.8
[M+NH4]+ 219.20670 170.3
[M+K]+ 240.13604 156.2
[M+H-H2O]+ 184.17014 146.5
[M+HCOO]- 246.17108 170.2
[M+CH3COO]- 260.18673 191.0
[M+Na-2H]- 222.14755 151.9
[M]+ 201.17233 152.3
[M]- 201.17343 152.3
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