CID 6426754

Schembl19075573

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCC(C)[C@@H](C(=O)O)NC(=O)C(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-6-7(2)8(9(13)14)12-10(15)11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7?,8-/m0/s1
InChIKey
QFMGUDCPFHXJGK-MQWKRIRWSA-N
Compound name
(2S)-2-(2,2-dimethylpropanoylamino)-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

215.15215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.159426 152.2
[M+Na]+ 238.141368 156.3
[M-H]- 214.144874 150.8
[M+NH4]+ 233.185973 169.8
[M+K]+ 254.115308 156.5
[M+H-H2O]+ 198.149410 147.5
[M+HCOO]- 260.150351 169.6
[M+CH3COO]- 274.166001 191.1
[M+Na-2H]- 236.126816 152.3
[M]+ 215.15160142 152.4
[M]- 215.15269858 152.4
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