CID 82335

L-alanine methyl ester hydrochloride

Structural Information

Molecular Formula
C4H9NO2
SMILES
C[C@@H](C(=O)OC)N
InChI
InChI=1S/C4H9NO2/c1-3(5)4(6)7-2/h3H,5H2,1-2H3/t3-/m0/s1
InChIKey
DWKPPFQULDPWHX-VKHMYHEASA-N
Compound name
methyl (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

10455
Patents

103.06333 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.07061 119.6
[M+Na]+ 126.05255 128.4
[M+NH4]+ 121.09715 126.9
[M+K]+ 142.02649 125.1
[M-H]- 102.05605 118.6
[M+Na-2H]- 124.03800 122.6
[M]+ 103.06278 120.1
[M]- 103.06388 120.1
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