CID 13089460

Propan-2-yl 2-aminopropanoate

Structural Information

Molecular Formula
C6H13NO2
SMILES
C[C@@H](C(=O)OC(C)C)N
InChI
InChI=1S/C6H13NO2/c1-4(2)9-6(8)5(3)7/h4-5H,7H2,1-3H3/t5-/m0/s1
InChIKey
QDQVXVRZVCTVHE-YFKPBYRVSA-N
Compound name
propan-2-yl (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2374
Patents

131.09464 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 129.4
[M+Na]+ 154.083858 135.5
[M-H]- 130.087364 129.4
[M+NH4]+ 149.128463 150.9
[M+K]+ 170.057798 136.6
[M+H-H2O]+ 114.091900 124.6
[M+HCOO]- 176.092841 151.3
[M+CH3COO]- 190.108491 176.3
[M+Na-2H]- 152.069306 131.8
[M]+ 131.09409142 129.0
[M]- 131.09518858 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe