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

266
Patents

173.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 143.6
[M+Na]+ 196.13081 148.2
[M-H]- 172.13431 143.1
[M+NH4]+ 191.17541 163.3
[M+K]+ 212.10475 149.0
[M+H-H2O]+ 156.13885 138.4
[M+HCOO]- 218.13979 163.5
[M+CH3COO]- 232.15544 186.3
[M+Na-2H]- 194.11626 143.1
[M]+ 173.14104 143.7
[M]- 173.14214 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