CID 145945394

(3r)-3-{[(tert-butoxy)carbonyl](methyl)amino}-5-methylhexanoic acid

Structural Information

Molecular Formula
C13H25NO4
SMILES
CC(C)C[C@H](CC(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO4/c1-9(2)7-10(8-11(15)16)14(6)12(17)18-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,16)/t10-/m1/s1
InChIKey
ONRRBBCAMWGQFX-SNVBAGLBSA-N
Compound name
(3R)-5-methyl-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.17834 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18562 162.9
[M+Na]+ 282.16756 166.5
[M-H]- 258.17106 162.8
[M+NH4]+ 277.21216 179.5
[M+K]+ 298.14150 168.2
[M+H-H2O]+ 242.17560 157.7
[M+HCOO]- 304.17654 180.5
[M+CH3COO]- 318.19219 202.0
[M+Na-2H]- 280.15301 161.6
[M]+ 259.17779 166.6
[M]- 259.17889 166.6
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

No patent data available for this compound.