CID 14178475

62621-18-5

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)C[C@@H](C(=O)OC(C)C)N
InChI
InChI=1S/C9H19NO2/c1-6(2)5-8(10)9(11)12-7(3)4/h6-8H,5,10H2,1-4H3/t8-/m0/s1
InChIKey
KDESEECZHLTGMH-QMMMGPOBSA-N
Compound name
propan-2-yl (2S)-2-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

301
Patents

173.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 143.6
[M+Na]+ 196.130808 148.2
[M-H]- 172.134314 143.1
[M+NH4]+ 191.175413 163.3
[M+K]+ 212.104748 149.0
[M+H-H2O]+ 156.138850 138.4
[M+HCOO]- 218.139791 163.5
[M+CH3COO]- 232.155441 186.3
[M+Na-2H]- 194.116256 143.1
[M]+ 173.14104142 143.7
[M]- 173.14213858 143.7
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