CID 439771

2-amino-3-chloropropanoic acid

Structural Information

Molecular Formula
C3H6ClNO2
SMILES
C([C@H](C(=O)O)N)Cl
InChI
InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m1/s1
InChIKey
ASBJGPTTYPEMLP-UWTATZPHSA-N
Compound name
(2S)-2-amino-3-chloropropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

80
References

1434
Patents

123.008705 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.01598 119.9
[M+Na]+ 145.99792 129.1
[M+NH4]+ 141.04253 127.3
[M+K]+ 161.97186 125.6
[M-H]- 122.00143 118.4
[M+Na-2H]- 143.98337 122.8
[M]+ 123.00816 120.6
[M]- 123.00925 120.6
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

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